0 B14R2.1146 CCN1CC(=O)Nc2c1cccc2 cdb1d13a2e3a73329c51147305a6a63d [0,1,0,0,0,0|2,0,1]=4 1 B14R2.1146 CCN1CC(=O)Oc2c1cccc2 66bea4beee8829dad29c6839265ba4a8 [0,1,0,0,0,0|1,0,1]=3 2 B14R2.1146 O=C1CN(c2ccccc2N1)CF e8df769c33522048b75af0fb307ef8d5 [0,1,0,0,0,0|2,0,1]=4 3 B14R2.1146 O=C1CN(c2ccccc2N1)CO d0009f103c6b212c2bb37116684a3c57 [0,1,0,0,0,0|2,0,1]=4 4 B14R2.1146 O=C1CN(c2ccccc2O1)CF 4c2dfbbb4d4ef39be93ce4d2a3a82135 [0,1,0,0,0,0|1,0,1]=3 5 B14R2.1146 O=C1CN(c2ccccc2O1)CO 01d483befa08cadcd78c2f52620ccae2 [0,1,0,0,0,0|1,0,1]=3 6 B14R2.1146 O=CN1CC(=O)Oc2c1cccc2 ab899bcca1281cd047944d5c92de1348 [0,1,0,0,0,0|1,0,2]=4 7 B12R1.32 C/C=C/C(=O)Nc1ccccc1 b9c2b2bab8539dcad71e0f1bcc0d5a7b [0,0,1,0,0,0|1,0,0]=2 8 B12R1.32 C/C=C/C(=O)Nc1ccccn1 fbe15365814713cb3247d141f6602b0f [0,0,1,0,0,0|2,0,0]=3 9 B12R1.32 C/C=C/C(=O)Nc1cccnc1 8cf296947079f8325abe699420205b81 [0,0,1,0,0,0|2,0,0]=3 10 B12R1.32 C/C=C/C(=O)Nc1cccnn1 ad9f5bad42c33a7bfd40ba2cd3efafb4 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.32 C/C=C/C(=O)Nc1ccncc1 d3f4c9e98c88e27822a3b9f2a12890a8 [0,0,1,0,0,0|2,0,0]=3 12 B12R1.32 C/C=C/C(=O)Nc1ccncn1 b624d8bd092a25dc1db402db773e7569 [0,0,1,0,0,0|3,0,0]=4 13 B12R1.32 C/C=C/C(=O)Nc1ccnnc1 f5f77ea0f91ccfec4d951c3999252429 [0,0,1,0,0,0|3,0,0]=4 14 B12R1.32 C/C=C/C(=O)Nc1cnccn1 668dcfc8ccc6b572965b4db6571c160c [0,0,1,0,0,0|3,0,0]=4 15 B12R1.32 C/C=C/C(=O)Nc1cncnc1 7afd2e94c1cfa4724f37c4910c5c16e2 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.32 C=CCC(=O)Nc1ccccc1 451f938fb966a6692f9501119d2a34ad [0,0,1,0,0,0|1,0,2]=4 17 B12R1.32 O=C(/C=C/Br)Nc1ccccc1 92c7f3d57436960f176d052986c2a2e2 [0,0,1,0,0,0|2,0,0]=3 18 B12R1.32 O=C(/C=C/Br)Nc1ccccn1 6f75a21c493622b6fd647084d758b990 [0,0,1,0,0,0|3,0,0]=4 19 B12R1.32 O=C(/C=C/Br)Nc1cccnc1 e0ce8cbc919421bb72f7ea940bf56271 [0,0,1,0,0,0|3,0,0]=4 20 B12R1.32 O=C(/C=C/Br)Nc1ccncc1 ceb58434b7cb17f8cbda48b2623b7fc2 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.32 O=C(/C=C/Cl)Nc1ccccc1 bb0b9b3a88b304515fa8c526107c3625 [0,0,1,0,0,0|2,0,0]=3 22 B12R1.32 O=C(/C=C/Cl)Nc1ccccn1 0e77e8a5265e7c3318a0ed02a772793f [0,0,1,0,0,0|3,0,0]=4 23 B12R1.32 O=C(/C=C/Cl)Nc1cccnc1 96da7c048845407b8e9fb3cfc8e5cbac [0,0,1,0,0,0|3,0,0]=4 24 B12R1.32 O=C(/C=C/Cl)Nc1ccncc1 c2f93ada3f3cb640675380a51fad8657 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.32 O=C(/C=C/I)Nc1ccccc1 d8a8f97dca4abb25514c9a055253e119 [0,0,1,0,0,0|2,0,0]=3 26 B12R1.32 O=C(/C=C/I)Nc1ccccn1 c378f4fb25e4e0bd0166fd2e1e6d2693 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.32 O=C(/C=C/I)Nc1cccnc1 0445bf6d14eff8a6c498774cad109552 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.32 O=C(/C=C/I)Nc1ccncc1 f83f2de40e45193b5770f290b872a6e5 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.32 O=C(/C=C\Br)Nc1ccccc1 776fd333f2d22c19068e01efe5b83c76 [0,0,1,0,0,0|2,0,0]=3 30 B12R1.32 O=C(/C=C\Br)Nc1ccccn1 23bda1233ed2aefc97401481ae4dfc1a [0,0,1,0,0,0|3,0,0]=4 31 B12R1.32 O=C(/C=C\Br)Nc1cccnc1 4801603e5da7c495f54ac2f3938251f8 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.32 O=C(/C=C\Br)Nc1ccncc1 ea00d381bf3bedbebc5b2414fc046b15 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.32 O=C(/C=C\Cl)Nc1ccccc1 c480f1890f14db221e610fb49af268bb [0,0,1,0,0,0|2,0,0]=3 34 B12R1.32 O=C(/C=C\Cl)Nc1ccccn1 803e50ac212386ae93e06cba9008df21 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.32 O=C(/C=C\Cl)Nc1cccnc1 298fb29fde194fe0e6f85b13e040d25e [0,0,1,0,0,0|3,0,0]=4 36 B12R1.32 O=C(/C=C\Cl)Nc1ccncc1 2a2fab1c0c67581971eacd6d0320d697 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.32 O=C(/C=C\I)Nc1ccccc1 71a6abfd35167f20eb1ed55ba75c05dd [0,0,1,0,0,0|2,0,0]=3 38 B12R1.32 O=C(/C=C\I)Nc1ccccn1 171cdc703be70e2c221c367f15722cfa [0,0,1,0,0,0|3,0,0]=4 39 B12R1.32 O=C(/C=C\I)Nc1cccnc1 67a27e04e59e183ccb6ad4c1364858c5 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.32 O=C(/C=C\I)Nc1ccncc1 516043bc3c0cd2358b2bed8c1d8561b2 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.32 O=C(C=CBr)Nc1ccccc1 626328bc468ff4a17ca9ef770e654be0 [0,0,1,0,0,0|2,0,0]=3 42 B12R1.32 O=C(C=CBr)Nc1ccccn1 ee21aaba33f510d1bbd6a78b3cdebb88 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.32 O=C(C=CBr)Nc1cccnc1 d865e25dedb2cfca6fb2b9f6e7c2f030 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.32 O=C(C=CBr)Nc1ccncc1 166e2bf96858d54903daf690b326e78b [0,0,1,0,0,0|3,0,0]=4 45 B12R1.32 O=C(C=CI)Nc1ccccc1 5d838b813492e319cee62c8bc51cf296 [0,0,1,0,0,0|2,0,0]=3 46 B12R1.32 O=C(C=CI)Nc1ccccn1 fb2b54ff72eac4b6002ba9dd81e3ea91 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.32 O=C(C=CI)Nc1cccnc1 15ab4fabccc35191d29238b8766692c4 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.32 O=C(C=CI)Nc1ccncc1 9120cc3a70752923fe55e56a6d80358d [0,0,1,0,0,0|3,0,0]=4 49 B12R1.32 O=CCC(=O)Nc1ccccc1 82edb9a4ff8811bb5cbe33bf24448e1c [0,0,1,0,0,0|2,0,1]=4 50 B12R1.75 C=Cc1ccccc1NC(=O)C 5268ea1e42747cbde59451b14da60f4f [0,0,1,0,0,0|1,0,2]=4 51 B12R1.75 CC(=O)Nc1ccccc1C=O 01849de0c2afbf0fd1bfd5cf138f712d [0,0,1,0,0,0|2,0,1]=4 52 B12R1.75 CCc1ccccc1NC(=O)C ab6d65e3c5537181bc992814e45b99ca [0,0,1,0,0,0|1,0,2]=4 53 B12R1.75 COc1ccccc1NC(=O)C 99183408a901862594abd2438e5d4ddd [0,0,1,0,0,0|2,0,1]=4 54 B12R1.75 CSc1ccccc1NC(=O)C 963646d8f23d85ca9001073ee0217f48 [0,0,1,0,0,0|2,0,1]=4 55 B12R1.107 CC(=O)NC(C)c1ccccc1 5ac270090224b04d6e18bd0f40247bab [0,0,1,0,0,0|2,0,1]=4 56 B12R1.107 CC(=O)N[C@@H](C)c1ccccc1 83a412c49d00ac7737895652e0438906 [0,0,1,0,0,0|2,0,1]=4 57 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 6af9f7af8ede42291806b12f353a29c9 [0,0,1,0,0,0|2,0,1]=4 58 B12R1.107 CN(CC(=O)N)c1ccccc1 75a7fbfa9e6f8caba6a47338e3098cbb [0,0,1,0,0,0|2,0,1]=4 59 B12R1.107 CN(CC(=O)O)c1ccccc1 858f8808a1d727235e14bdbf7ff6ac3d [0,0,1,0,0,0|1,0,1]=3 60 B12R1.107 CN(CC(=O)O)c1ccccn1 b858050342c0cd6e6ffe7fc9ce59e005 [0,0,1,0,0,0|2,0,1]=4 61 B12R1.107 CN(CC(=O)O)c1cccnc1 a068ea195e7c4e5a6506887dbd106203 [0,0,1,0,0,0|2,0,1]=4 62 B12R1.107 CN(CC(=O)O)c1ccncc1 6fee849cce3d22ba8d7627ec46bd540a [0,0,1,0,0,0|2,0,1]=4 63 B12R1.283 C=C(C)c1ccccc1NC=O 038325992cb0e480c7830b00c0d215ca [0,0,1,0,0,0|1,0,0]=2 64 B12R1.283 C=C(C)c1ccccc1NCC ea0e505bed19cf1b742d99e81e2a19c1 [0,0,1,0,0,0|2,0,1]=4 65 B12R1.283 C=C(C)c1ccccc1NCO 3d1250da869bdc6ad48e5c2ed6fc95b8 [0,0,1,0,0,0|1,0,2]=4 66 B12R1.283 CC(=O)c1ccccc1NC=O 65ad97c1be5d66dfc92bd52ddf345d07 [0,0,1,0,0,0|2,0,0]=3 67 B12R1.283 CC(=O)c1ccccc1OCF 57e0947b71fc32a997b474f3cb66ed64 [0,0,1,0,0,0|2,0,1]=4 68 B12R1.283 CC(=O)c1cccnc1NC=O 6c6ac0ea755743b9bc95e9d6e31eb171 [0,0,1,0,0,0|3,0,0]=4 69 B12R1.283 CC(=O)c1ccncc1NC=O 33026ed2f39f761a0ea789967cd5d221 [0,0,1,0,0,0|3,0,0]=4 70 B12R1.283 CC(=O)c1cnccc1NC=O 39fcf15fa77b7e5b9311417059e5b0cd [0,0,1,0,0,0|3,0,0]=4 71 B12R1.283 CC(=O)c1ncccc1NC=O 4d28563199a65e85eed1d49e9310c953 [0,0,1,0,0,0|3,0,0]=4 72 B12R1.283 CC(C)c1ccccc1NC=O beeab38b9e7f358931ec6464e28ff581 [0,0,1,0,0,0|1,0,2]=4 73 B12R1.283 CC(O)c1ccccc1NC=O a4511194fe8bb871cfe710c709b12ca3 [0,0,1,0,0,0|2,0,1]=4 74 B12R1.283 CCOc1ccccc1C(=O)C 714020703c7343bf4297a0ea0ff54652 [0,0,1,0,0,0|2,0,1]=4 75 B12R1.283 CN(C)c1ccccc1NC=O d856fa8e5480b28b7d365cf9066dee8a [0,0,1,0,0,0|2,0,1]=4 76 B12R1.283 CS(=O)c1ccccc1NC=O e0dea8bd449b1b038a9d6801f6b56167 [0,0,1,0,0,0|3,0,0]=4 77 B12R1.283 NC(=O)c1ccccc1NC=O 0b75641490b24ddec9794b556ca45baa [0,0,1,0,0,0|3,0,0]=4 78 B12R1.283 NC(=S)c1ccccc1NC=O 862bd4d24af0f8a804cbd159f0a0f017 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.308 CC(NC=O)c1ccccc1Br 7de257f1f741e929b35388a5f288133c [0,0,1,0,0,0|2,0,1]=4 80 B12R1.308 CC(NC=O)c1ccccc1Cl 5b22478d980821b1af4ef6bb00ce9913 [0,0,1,0,0,0|2,0,1]=4 81 B12R1.308 CC(NC=O)c1ccccc1F 6de6ee4cdf3140e48d58e02c34c99749 [0,0,1,0,0,0|2,0,1]=4 82 B12R1.308 CC(NC=O)c1ccccc1I f21f3c43c62e9347b4bdb2169f7236ad [0,0,1,0,0,0|2,0,1]=4 83 B12R1.308 CN(CC=O)c1ccccc1Br 0f2fd3bb658879d5a8b6596d1b5e87dc [0,0,1,0,0,0|2,0,1]=4 84 B12R1.308 CN(CC=O)c1ccccc1Cl 1dd750d1d363ed762d9d2244c8019d68 [0,0,1,0,0,0|2,0,1]=4 85 B12R1.308 CN(CC=O)c1ccccc1F 522a2e2446d57ada3524a2ff5c90eb48 [0,0,1,0,0,0|2,0,1]=4 86 B12R1.308 C[C@@H](NC=O)c1ccccc1Br 14ac92223d54c1fef8592a3a81304e23 [0,0,1,0,0,0|2,0,1]=4 87 B12R1.308 C[C@@H](NC=O)c1ccccc1Cl 2f4bf32a9a919e775ee8bbc3adc47eba [0,0,1,0,0,0|2,0,1]=4 88 B12R1.308 C[C@@H](NC=O)c1ccccc1F 0f572c711e99cc8a1872c777a329f37b [0,0,1,0,0,0|2,0,1]=4 89 B12R1.308 C[C@H](NC=O)c1ccccc1Br 105061d16bdf78f9338f6d8caf383d6d [0,0,1,0,0,0|2,0,1]=4 90 B12R1.308 C[C@H](NC=O)c1ccccc1Cl 30ec0d37f6a0b0a9e861642f4468c4c5 [0,0,1,0,0,0|2,0,1]=4 91 B12R1.308 C[C@H](NC=O)c1ccccc1F 139750b141369245159fb13f5fa01ced [0,0,1,0,0,0|2,0,1]=4 92 B12R1.308 Cc1ccccc1C(C)NC=O 3dbc5b1eca13ab889cd5b986d3a933f9 [0,0,1,0,0,0|2,0,1]=4 93 B12R1.308 Cc1ccccc1N(C)CC=O 1b3b7a0fcfe6e14922255a9bc05376ca [0,0,1,0,0,0|2,0,1]=4 94 B12R1.308 Cc1ccccc1[C@@H](C)NC=O 1e480558b0b49cb08fba6cc0cd3799ef [0,0,1,0,0,0|2,0,1]=4 95 B12R1.308 Cc1ccccc1[C@H](C)NC=O 1c5a9aff2b2e566578c04adb612011c0 [0,0,1,0,0,0|2,0,1]=4 96 B11R1.28 C/C=C/CNc1ccccc1 e02cbeaffef0ff2c4795b558e93457ed [1,0,1,0,0,0|1,0,1]=4 97 B11R1.28 C/C=C/COc1ccccn1 ed755d9f4a3a906e4d287cc92f6a9256 [1,0,1,0,0,0|1,0,1]=4 98 B11R1.28 C/C=C/COc1cccnc1 182aabd1e115f20a2221ff63f4609b70 [1,0,1,0,0,0|1,0,1]=4 99 B11R1.28 C/C=C/COc1ccncc1 626a36d815056b548624718762e7a1fe [1,0,1,0,0,0|1,0,1]=4 100 B11R1.28 C/C=C\CNc1ccccc1 f25f4c9ee5d52b5a340bd4a7fd720817 [1,0,1,0,0,0|1,0,1]=4 101 B11R1.28 C/C=C\COc1ccccn1 69073974b597ab405a0094b540a97f81 [1,0,1,0,0,0|1,0,1]=4 102 B11R1.28 C/C=C\COc1cccnc1 d486f9f7e5b795e5a8aedabfa7f6ce63 [1,0,1,0,0,0|1,0,1]=4 103 B11R1.28 C/C=C\COc1ccncc1 111e76a9a567d470a95d2cac0ae301d3 [1,0,1,0,0,0|1,0,1]=4 104 B11R1.28 CC=CCNc1ccccc1 c43b41b8b675349badfe26c48e3f7c5f [1,0,1,0,0,0|1,0,1]=4 105 B11R1.40 C=CC(=O)Nc1ccccc1 5f69a60f76bf8d4845a783c3048b2563 [1,0,1,0,0,0|1,0,0]=3 106 B11R1.40 C=CC(=O)Nc1ccccn1 34fef90711dfcaefc277492e72bbe936 [1,0,1,0,0,0|2,0,0]=4 107 B11R1.40 C=CC(=O)Nc1cccnc1 de5c772a8cda94a68da43551d49c0fce [1,0,1,0,0,0|2,0,0]=4 108 B11R1.40 C=CC(=O)Nc1ccncc1 415f0c78f33533c78fc6ab46a82fb4b2 [1,0,1,0,0,0|2,0,0]=4 109 B11R1.40 O=CC(=O)Nc1ccccc1 d69489ae088f523aa236921a313e92a5 [1,0,1,0,0,0|2,0,0]=4 110 B11R1.17 O=CNCc1ccccc1O df0afa8c91afdac1d44912107063bd10 [1,0,1,0,0,0|1,0,1]=4 111 B11R1.41 C=Cc1ccccc1NC=O 318fa617b79be5fa4723a8d8c79b7c87 [1,0,1,0,0,0|1,0,0]=3 112 B11R1.41 C=Cc1ccccc1OCC dd5acf9fe1868c85263d9d9b388077e8 [1,0,1,0,0,0|1,0,1]=4 113 B11R1.41 C=Cc1ccccc1OCF 3a83b1e091c8fcb96ef72b4b0e164b48 [1,0,1,0,0,0|1,0,1]=4 114 B11R1.41 C=Cc1ncccc1NC=O f06ac0d926f03852ca9c2a478204d4b9 [1,0,1,0,0,0|2,0,0]=4 115 B11R1.41 CCc1ccccc1NC=O f5899686188b5c72f9d67644802900c5 [1,0,1,0,0,0|1,0,1]=4 116 B11R1.41 COc1ccccc1NC=O 5fc84704980d9dcf62fe3b3995a48842 [1,0,1,0,0,0|2,0,0]=4 117 B11R1.41 CSc1ccccc1NC=O fa4e9943b11c2155ce9d6d52b976e411 [1,0,1,0,0,0|2,0,0]=4 118 B11R1.41 O=CNc1ccccc1C=O 497f54404d9bc48b9253f4f69faf4a1b [1,0,1,0,0,0|2,0,0]=4 119 B11R1.86 CC(=O)Nc1ccccc1C 7049a69ccf4e362820a37d19b9dcdc8e [1,0,1,0,0,0|1,0,1]=4 120 B11R1.16 CC(NC=O)c1ccccc1 912f825ae8ec09ad8cb929f90e443d73 [1,0,1,0,0,0|1,0,1]=4 121 B11R1.16 CN(CC=O)c1ccccc1 669b7315010cb1229c9893a5bac75e38 [1,0,1,0,0,0|1,0,1]=4 122 B11R1.16 C[C@@H](NC=O)c1ccccc1 ed3cbc790dab943801487e30e3a37c11 [1,0,1,0,0,0|1,0,1]=4 123 B11R1.16 C[C@H](NC=O)c1ccccc1 0ca5dec48ba28ecff3cefea41bc874f0 [1,0,1,0,0,0|1,0,1]=4 124 B11R1.91 O=C(O)CNc1ccccc1 aa02152e084051d6acb84b2b7ca3be40 [1,0,1,0,0,0|1,0,1]=4 125 B11R1.222 CN(C=O)c1ccccc1Br 3426899914cb277130ea1a231941052f [1,0,1,0,0,0|2,0,0]=4 126 B11R1.222 CN(C=O)c1ccccc1Cl 135f44500c6825a6172cd53bd209f325 [1,0,1,0,0,0|2,0,0]=4 127 B11R1.222 CN(C=O)c1ccccc1F b02bb0760d6e84d207ae27e31e461504 [1,0,1,0,0,0|2,0,0]=4 128 B11R1.222 CN(C=O)c1ccccc1O 4c3e44ceba918ddfd6ff42ad51415b5c [1,0,1,0,0,0|1,0,0]=3 129 B11R1.222 Cc1ccccc1N(C)C=O 0cbd91f766c6614fd036ecf6c5c52ea2 [1,0,1,0,0,0|2,0,0]=4 130 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)Br b59bfa4b49d7e2447e66a78232439d0d [0,1,1,0,0,0|1,0,0]=3 131 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)C 7b8ebbedfc124d797aa79c67575c62b5 [0,1,1,0,0,0|1,0,0]=3 132 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)Cl 1a6d92f814dff97654da85e9317bbb3c [0,1,1,0,0,0|1,0,0]=3 133 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)F 9b471d2f0e110fce87d4457df7e14785 [0,1,1,0,0,0|1,0,0]=3 134 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)I ff8e4af32660ae7aef9c96ca3ded6e25 [0,1,1,0,0,0|1,0,0]=3 135 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)O 2760ddb61688c4f60dbf9cb8741fe135 [0,1,1,0,0,0|1,0,0]=3 136 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)S 271cc7d4cf7482af064f67ff3592a21c [0,1,1,0,0,0|1,0,0]=3 137 B13R1.19 C/C=C/C(=O)Nc1ccc(cn1)Br 46fcc20404e7c31b0269cf19277aa967 [0,1,1,0,0,0|2,0,0]=4 138 B13R1.19 C/C=C/C(=O)Nc1ccc(cn1)C 90cbd1876312953103d3cd6a2f33268d [0,1,1,0,0,0|2,0,0]=4 139 B13R1.19 C/C=C/C(=O)Nc1ccc(cn1)Cl 255d6be5735f641df794af28a3500f97 [0,1,1,0,0,0|2,0,0]=4 140 B13R1.19 C/C=C/C(=O)Nc1ccc(cn1)F 4ec083fa620642de49895383bb20e77d [0,1,1,0,0,0|2,0,0]=4 141 B13R1.19 C/C=C/C(=O)Nc1ccc(cn1)I a3c7b10857870a34d31bf94390ff5d3e [0,1,1,0,0,0|2,0,0]=4 142 B13R1.19 C/C=C/C(=O)Nc1ccc(cn1)O f9b6d025732d16f9b15dcbf63381a1b7 [0,1,1,0,0,0|2,0,0]=4 143 B13R1.19 C/C=C/C(=O)Nc1ccc(nc1)Br 4fdca5c09cf0d0886bf302b50c47ef25 [0,1,1,0,0,0|2,0,0]=4 144 B13R1.19 C/C=C/C(=O)Nc1ccc(nc1)C 923f3934d3e93ac6d1e4974e3a221665 [0,1,1,0,0,0|2,0,0]=4 145 B13R1.19 C/C=C/C(=O)Nc1ccc(nc1)Cl 4823b0a77dd76e2313b40647b3d05443 [0,1,1,0,0,0|2,0,0]=4 146 B13R1.19 C/C=C/C(=O)Nc1ccc(nc1)F b3b06f2c092d04932c404661b8afbe3c [0,1,1,0,0,0|2,0,0]=4 147 B13R1.19 C/C=C/C(=O)Nc1ccc(nc1)I b5d57c1aa1cc1541d3783350eed57951 [0,1,1,0,0,0|2,0,0]=4 148 B13R1.19 Cc1ccc(cc1)NC(=O)/C=C/Br 6ca9060b44ffdfb7c714efb48bd90864 [0,1,1,0,0,0|2,0,0]=4 149 B13R1.19 Cc1ccc(cc1)NC(=O)/C=C/Cl 78557fe8ee7422a9a415ed697c74a75f [0,1,1,0,0,0|2,0,0]=4 150 B13R1.19 Cc1ccc(cc1)NC(=O)/C=C/I 3878d7b0bfb4a6d6fb37ad6a15e464ee [0,1,1,0,0,0|2,0,0]=4 151 B13R1.19 Cc1ccc(cc1)NC(=O)/C=C\Br e5c1e2b18d9a6ac523347bc2b3dc108a [0,1,1,0,0,0|2,0,0]=4 152 B13R1.19 Cc1ccc(cc1)NC(=O)/C=C\Cl c677c967bd74d1342cc9d3939933f4f9 [0,1,1,0,0,0|2,0,0]=4 153 B13R1.19 Cc1ccc(cc1)NC(=O)/C=C\I 3d328314924f10bb0978036023a7c85c [0,1,1,0,0,0|2,0,0]=4 154 B13R1.19 Cc1ccc(cc1)NC(=O)C=CBr 6a335437704bfc4f757e0228d2ca3aa0 [0,1,1,0,0,0|2,0,0]=4 155 B13R1.19 Cc1ccc(cc1)NC(=O)C=CI eaf59747c91dd719f0550911fdb880e1 [0,1,1,0,0,0|2,0,0]=4 156 B13R1.19 O=C(/C=C/Br)Nc1ccc(cc1)Br 7c31712bfd63a9e89ef22ca5263beb6b [0,1,1,0,0,0|2,0,0]=4 157 B13R1.19 O=C(/C=C/Br)Nc1ccc(cc1)Cl 3b9df59ecb5058105397c4cc2fa4c058 [0,1,1,0,0,0|2,0,0]=4 158 B13R1.19 O=C(/C=C/Br)Nc1ccc(cc1)F dece44ec78fefcd8ae20393665cf1985 [0,1,1,0,0,0|2,0,0]=4 159 B13R1.19 O=C(/C=C/Br)Nc1ccc(cc1)I 5503e71ee6dd0847dd795926ac0d188d [0,1,1,0,0,0|2,0,0]=4 160 B13R1.19 O=C(/C=C/Br)Nc1ccc(cc1)O 496970f0d63d79c96458eb6b648062ad [0,1,1,0,0,0|2,0,0]=4 161 B13R1.19 O=C(/C=C/Br)Nc1ccc(cc1)S 47d0d2d84db5c9749b0de31a94d68844 [0,1,1,0,0,0|2,0,0]=4 162 B13R1.19 O=C(/C=C/Cl)Nc1ccc(cc1)Br 257d4011f03471ebb5f72f151f3ca7f5 [0,1,1,0,0,0|2,0,0]=4 163 B13R1.19 O=C(/C=C/Cl)Nc1ccc(cc1)Cl 5c9eebc010f73befe41ae33768f48a49 [0,1,1,0,0,0|2,0,0]=4 164 B13R1.19 O=C(/C=C/Cl)Nc1ccc(cc1)F 951e4e90c5bd526d85c6634700800b5b [0,1,1,0,0,0|2,0,0]=4 165 B13R1.19 O=C(/C=C/Cl)Nc1ccc(cc1)I 1cdba0e69e187b0a3b66d0225ed29822 [0,1,1,0,0,0|2,0,0]=4 166 B13R1.19 O=C(/C=C/Cl)Nc1ccc(cc1)O 82e063100dd6aa9f00f1c4ff7485f647 [0,1,1,0,0,0|2,0,0]=4 167 B13R1.19 O=C(/C=C/Cl)Nc1ccc(cc1)S 6d5766d2cf05125952454bfa94fd6baf [0,1,1,0,0,0|2,0,0]=4 168 B13R1.19 O=C(/C=C/I)Nc1ccc(cc1)Br 0a48992c1fa5de9955bb8e8e950022e1 [0,1,1,0,0,0|2,0,0]=4 169 B13R1.19 O=C(/C=C/I)Nc1ccc(cc1)Cl 45870cc96717d4c355ae672bca7f043c [0,1,1,0,0,0|2,0,0]=4 170 B13R1.19 O=C(/C=C/I)Nc1ccc(cc1)F 290babd73a8566577f50d06c416e605e [0,1,1,0,0,0|2,0,0]=4 171 B13R1.19 O=C(/C=C/I)Nc1ccc(cc1)I 4124804745d2aad3b753121cf7d0b42c [0,1,1,0,0,0|2,0,0]=4 172 B13R1.19 O=C(/C=C/I)Nc1ccc(cc1)O e1dfa03481bd8cc4241548ae14c66dd0 [0,1,1,0,0,0|2,0,0]=4 173 B13R1.19 O=C(/C=C/I)Nc1ccc(cc1)S 7e142035c7dfd60400cf8ce4f24d6668 [0,1,1,0,0,0|2,0,0]=4 174 B13R1.19 O=C(/C=C\Br)Nc1ccc(cc1)Br ca9a048f60bdc01fe5825956aecf5284 [0,1,1,0,0,0|2,0,0]=4 175 B13R1.19 O=C(/C=C\Br)Nc1ccc(cc1)Cl 89a2ff723bc618d4263ef795e2205eba [0,1,1,0,0,0|2,0,0]=4 176 B13R1.19 O=C(/C=C\Br)Nc1ccc(cc1)F e9ff657907d994b6448fa668bafe9eec [0,1,1,0,0,0|2,0,0]=4 177 B13R1.19 O=C(/C=C\Br)Nc1ccc(cc1)I 14fe8ff845ec719c6222c1c727a47fa9 [0,1,1,0,0,0|2,0,0]=4 178 B13R1.19 O=C(/C=C\Br)Nc1ccc(cc1)O 3c871c811cc617f94cf78e85baa26fa5 [0,1,1,0,0,0|2,0,0]=4 179 B13R1.19 O=C(/C=C\Br)Nc1ccc(cc1)S 3711836f2c59578cf1e638ca0e8b9346 [0,1,1,0,0,0|2,0,0]=4 180 B13R1.19 O=C(/C=C\Cl)Nc1ccc(cc1)Br 99820d81f9195a3716d75e458e5af1fb [0,1,1,0,0,0|2,0,0]=4 181 B13R1.19 O=C(/C=C\Cl)Nc1ccc(cc1)Cl 7bd9e8b4a96471ba45833f9c7a409db6 [0,1,1,0,0,0|2,0,0]=4 182 B13R1.19 O=C(/C=C\Cl)Nc1ccc(cc1)F 89a6415113f9b60318e2a6e978e9f7e2 [0,1,1,0,0,0|2,0,0]=4 183 B13R1.19 O=C(/C=C\Cl)Nc1ccc(cc1)I f9caf31114f7fdb503f294f30cbb0870 [0,1,1,0,0,0|2,0,0]=4 184 B13R1.19 O=C(/C=C\Cl)Nc1ccc(cc1)O 2e5422471dc95e95b8f6e7900d93641c [0,1,1,0,0,0|2,0,0]=4 185 B13R1.19 O=C(/C=C\Cl)Nc1ccc(cc1)S de549753e263cd5dbd738b1fe4b5d7f1 [0,1,1,0,0,0|2,0,0]=4 186 B13R1.19 O=C(/C=C\I)Nc1ccc(cc1)Br 7717e3b4532bce16894d045b10d18adb [0,1,1,0,0,0|2,0,0]=4 187 B13R1.19 O=C(/C=C\I)Nc1ccc(cc1)Cl 2b97549276c69e38b82cd0e68ceb0535 [0,1,1,0,0,0|2,0,0]=4 188 B13R1.19 O=C(/C=C\I)Nc1ccc(cc1)F 13c5c1030a6c8bfc743cbd8c147e3a7e [0,1,1,0,0,0|2,0,0]=4 189 B13R1.19 O=C(/C=C\I)Nc1ccc(cc1)I 8ca7aa446c7a9bc2bd6ddd5ea23705ac [0,1,1,0,0,0|2,0,0]=4 190 B13R1.19 O=C(/C=C\I)Nc1ccc(cc1)O 7a7a0d406e1f7a206d9a51529ec578a0 [0,1,1,0,0,0|2,0,0]=4 191 B13R1.19 O=C(/C=C\I)Nc1ccc(cc1)S 72a80f1823f8f7cc5090f52ba893dfe7 [0,1,1,0,0,0|2,0,0]=4 192 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)Br 99634adcbcf7609b9673b50d0b9f44f7 [0,1,1,0,0,0|2,0,0]=4 193 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)Cl 8acf66100206d303ccd130808bdaecd2 [0,1,1,0,0,0|2,0,0]=4 194 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)F a340f74af7b7037cf0f14fdeb5017824 [0,1,1,0,0,0|2,0,0]=4 195 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)I a2b5c727208ee77f9ecc379019ed1a0f [0,1,1,0,0,0|2,0,0]=4 196 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)O 135a01fe9e1f670e47f0b513d3ee6da4 [0,1,1,0,0,0|2,0,0]=4 197 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)S 9ad084d2b9278ab47c4da6b626566c1f [0,1,1,0,0,0|2,0,0]=4 198 B13R1.19 O=C(C=CI)Nc1ccc(cc1)Br 7333d5ce34630e09c634798884949432 [0,1,1,0,0,0|2,0,0]=4 199 B13R1.19 O=C(C=CI)Nc1ccc(cc1)Cl 7e17303ae1a12246ac09c1a3131a6e24 [0,1,1,0,0,0|2,0,0]=4 200 B13R1.19 O=C(C=CI)Nc1ccc(cc1)F e381173b24bc6b84b796b73b81647977 [0,1,1,0,0,0|2,0,0]=4 201 B13R1.19 O=C(C=CI)Nc1ccc(cc1)I 546558c05c0dfee75005552fedeca46b [0,1,1,0,0,0|2,0,0]=4 202 B13R1.19 O=C(C=CI)Nc1ccc(cc1)O 3e20394bc00e94cec9810a836370dfd3 [0,1,1,0,0,0|2,0,0]=4 203 B13R1.19 O=C(C=CI)Nc1ccc(cc1)S 2aff731a42765ac98a81aec8eb923819 [0,1,1,0,0,0|2,0,0]=4 204 B13R1.20 C/C=C/C(=O)Nc1cc(ccn1)Br 8fcc575cc46e8989ea5bc34b5c075979 [0,1,1,0,0,0|2,0,0]=4 205 B13R1.20 C/C=C/C(=O)Nc1cc(ccn1)C edc62855a7a7b04d30a663e827be1f91 [0,1,1,0,0,0|2,0,0]=4 206 B13R1.20 C/C=C/C(=O)Nc1cc(ccn1)Cl 17f22367721eec5e671db87c50178df4 [0,1,1,0,0,0|2,0,0]=4 207 B13R1.20 C/C=C/C(=O)Nc1cc(ccn1)F 2965e6e1bd9e1d58f62c8fb38114a58b [0,1,1,0,0,0|2,0,0]=4 208 B13R1.20 C/C=C/C(=O)Nc1cc(ccn1)I 6b553b354f03ee277cc485cfab4eba00 [0,1,1,0,0,0|2,0,0]=4 209 B13R1.20 C/C=C/C(=O)Nc1cc(ccn1)O a7c1ce7ae8e830b9734665bc0f8a079e [0,1,1,0,0,0|2,0,0]=4 210 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)Br 8a038975c7d8df07abde393b3b4312d5 [0,1,1,0,0,0|1,0,0]=3 211 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)C 671be6adb33b99cc8e3fc6fe8cce69ac [0,1,1,0,0,0|1,0,0]=3 212 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)Cl 176a84f4e1dab1777b71893e7cda6880 [0,1,1,0,0,0|1,0,0]=3 213 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)F 165234348ef58a515e716bfe42607ea4 [0,1,1,0,0,0|1,0,0]=3 214 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)I 91ec00bb53a99e43334ece76c44e267b [0,1,1,0,0,0|1,0,0]=3 215 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)O d0c7a416b22ea6b6433d201581b475ae [0,1,1,0,0,0|1,0,0]=3 216 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)S f2986b8dc0ba5afd427517ba95a30e83 [0,1,1,0,0,0|1,0,0]=3 217 B13R1.20 C/C=C/C(=O)Nc1cccc(n1)Br 74886d8a084c0504c17928da4779c380 [0,1,1,0,0,0|2,0,0]=4 218 B13R1.20 C/C=C/C(=O)Nc1cccc(n1)C 2b465fc55d53b257cf50351dad04b23c [0,1,1,0,0,0|2,0,0]=4 219 B13R1.20 C/C=C/C(=O)Nc1cccc(n1)Cl 27ea8b171da372a256e5826c5a89ac4f [0,1,1,0,0,0|2,0,0]=4 220 B13R1.20 C/C=C/C(=O)Nc1cccc(n1)F be15ff0d14fe9762325623fc9a0d159e [0,1,1,0,0,0|2,0,0]=4 221 B13R1.20 C/C=C/C(=O)Nc1cccc(n1)I 1c2b4e262ba99436a2a0cf64f29714de [0,1,1,0,0,0|2,0,0]=4 222 B13R1.20 C/C=C/C(=O)Nc1cccc(n1)O 43ec1a97135c06ab62048bd0f5a9c71d [0,1,1,0,0,0|2,0,0]=4 223 B13R1.20 C/C=C/C(=O)Nc1ccnc(c1)Br 862f9a6b21b7c4360d3107b65da52022 [0,1,1,0,0,0|2,0,0]=4 224 B13R1.20 C/C=C/C(=O)Nc1ccnc(c1)C ab0f3eb1a0db39580c56dddc0c60d4ef [0,1,1,0,0,0|2,0,0]=4 225 B13R1.20 C/C=C/C(=O)Nc1ccnc(c1)Cl ebe8f2ca2360cfc3a6731572643b0fe2 [0,1,1,0,0,0|2,0,0]=4 226 B13R1.20 C/C=C/C(=O)Nc1ccnc(c1)F 0e26fdd7a6147e7c2b5318c5d072c83e [0,1,1,0,0,0|2,0,0]=4 227 B13R1.20 C/C=C/C(=O)Nc1ccnc(c1)I 40f59b52b0d7168962f719ecec89bcca [0,1,1,0,0,0|2,0,0]=4 228 B13R1.20 C/C=C/C(=O)Nc1ccnc(c1)O fbe24be3c0a097d918d7790d172f0ff7 [0,1,1,0,0,0|2,0,0]=4 229 B13R1.20 C/C=C/C(=O)Nc1cncc(c1)Br b799e0110123275b3103383c8540b87d [0,1,1,0,0,0|2,0,0]=4 230 B13R1.20 C/C=C/C(=O)Nc1cncc(c1)C 247336636d30f63fb80745b6006b7d1f [0,1,1,0,0,0|2,0,0]=4 231 B13R1.20 C/C=C/C(=O)Nc1cncc(c1)Cl 1785a232d41574171330c914c8e1f0f9 [0,1,1,0,0,0|2,0,0]=4 232 B13R1.20 C/C=C/C(=O)Nc1cncc(c1)F a21fec8a61f1416136890b38dcd86abb [0,1,1,0,0,0|2,0,0]=4 233 B13R1.20 C/C=C/C(=O)Nc1cncc(c1)I db45e6efde32410400517736808d8822 [0,1,1,0,0,0|2,0,0]=4 234 B13R1.20 C/C=C/C(=O)Nc1cncc(c1)O 6e5cb30763618ac3a015aefac2c90852 [0,1,1,0,0,0|2,0,0]=4 235 B13R1.20 Cc1cccc(c1)NC(=O)/C=C/Br ce3f0501cd9534595a1c65992693e0e1 [0,1,1,0,0,0|2,0,0]=4 236 B13R1.20 Cc1cccc(c1)NC(=O)/C=C/Cl 5974635bfd79de422c3082af67a3fff1 [0,1,1,0,0,0|2,0,0]=4 237 B13R1.20 Cc1cccc(c1)NC(=O)/C=C/I fd9fe9398a569777df2e4d921f2f85ce [0,1,1,0,0,0|2,0,0]=4 238 B13R1.20 Cc1cccc(c1)NC(=O)/C=C\Br 4a6cee5f2bd9fc731dddafd82089c7e9 [0,1,1,0,0,0|2,0,0]=4 239 B13R1.20 Cc1cccc(c1)NC(=O)/C=C\Cl 163ef1273f2d7b582f38b4e9eca23549 [0,1,1,0,0,0|2,0,0]=4 240 B13R1.20 Cc1cccc(c1)NC(=O)/C=C\I a06dbd33d5fe0787a162cf2659c2e202 [0,1,1,0,0,0|2,0,0]=4 241 B13R1.20 Cc1cccc(c1)NC(=O)C=CBr ba912905b65857489af6000803b3d758 [0,1,1,0,0,0|2,0,0]=4 242 B13R1.20 Cc1cccc(c1)NC(=O)C=CI 7497d32fa3d2e334121e540577002c94 [0,1,1,0,0,0|2,0,0]=4 243 B13R1.20 O=C(/C=C/Br)Nc1cccc(c1)Br 9f1ac91e3f69da4e8cf242d3f71f5695 [0,1,1,0,0,0|2,0,0]=4 244 B13R1.20 O=C(/C=C/Br)Nc1cccc(c1)Cl e021775f38bd4d31d6952b54868ed8bc [0,1,1,0,0,0|2,0,0]=4 245 B13R1.20 O=C(/C=C/Br)Nc1cccc(c1)F 6528ff3fd2eb30a1a86425c7ab0cc142 [0,1,1,0,0,0|2,0,0]=4 246 B13R1.20 O=C(/C=C/Br)Nc1cccc(c1)I 3dccd5769e65c5ee840892dff8dd8f96 [0,1,1,0,0,0|2,0,0]=4 247 B13R1.20 O=C(/C=C/Br)Nc1cccc(c1)O 136a9638f335c2395b6e83dc2d42c6c1 [0,1,1,0,0,0|2,0,0]=4 248 B13R1.20 O=C(/C=C/Br)Nc1cccc(c1)S afe740d4fe1b3fc1a8a300b9a002179d [0,1,1,0,0,0|2,0,0]=4 249 B13R1.20 O=C(/C=C/Cl)Nc1cccc(c1)Cl 30def5119504fad9684de642dcfbc249 [0,1,1,0,0,0|2,0,0]=4 250 B13R1.20 O=C(/C=C/Cl)Nc1cccc(c1)F 43a021c53768dbe36b8404154cd68316 [0,1,1,0,0,0|2,0,0]=4 251 B13R1.20 O=C(/C=C/Cl)Nc1cccc(c1)I fa8d2eae81546dcc0b83993c8f3a0d72 [0,1,1,0,0,0|2,0,0]=4 252 B13R1.20 O=C(/C=C/Cl)Nc1cccc(c1)O 9ae8c35a61e039c79905f8c48e98fab2 [0,1,1,0,0,0|2,0,0]=4 253 B13R1.20 O=C(/C=C/Cl)Nc1cccc(c1)S 9c5e3e918bdc59527427155eea85ac85 [0,1,1,0,0,0|2,0,0]=4 254 B13R1.20 O=C(/C=C/I)Nc1cccc(c1)Br 610bd14ead661ccb1268221ac0261f06 [0,1,1,0,0,0|2,0,0]=4 255 B13R1.20 O=C(/C=C/I)Nc1cccc(c1)Cl c6143ad4b8059c0c06829a48cae8cbc5 [0,1,1,0,0,0|2,0,0]=4 256 B13R1.20 O=C(/C=C/I)Nc1cccc(c1)F 62c8bb3447a6ed8c70b6a39438749916 [0,1,1,0,0,0|2,0,0]=4 257 B13R1.20 O=C(/C=C/I)Nc1cccc(c1)I 4b028cc39f579c9685039a432444a404 [0,1,1,0,0,0|2,0,0]=4 258 B13R1.20 O=C(/C=C/I)Nc1cccc(c1)O 09843d613dcfac11eb848708210d9410 [0,1,1,0,0,0|2,0,0]=4 259 B13R1.20 O=C(/C=C/I)Nc1cccc(c1)S 9d55fcaabbd9e73465c74e7f20f18196 [0,1,1,0,0,0|2,0,0]=4 260 B13R1.20 O=C(/C=C\Br)Nc1cccc(c1)Br e39af7acafd2ba726bedc8a74da91d7b [0,1,1,0,0,0|2,0,0]=4 261 B13R1.20 O=C(/C=C\Br)Nc1cccc(c1)Cl 07744ecb3e0f5c6c71dc91748d82d884 [0,1,1,0,0,0|2,0,0]=4 262 B13R1.20 O=C(/C=C\Br)Nc1cccc(c1)F ef08af4500678ed0d8e7f21bb8b25d41 [0,1,1,0,0,0|2,0,0]=4 263 B13R1.20 O=C(/C=C\Br)Nc1cccc(c1)I 4ba82b0c94c37322494546d9c2b8338e [0,1,1,0,0,0|2,0,0]=4 264 B13R1.20 O=C(/C=C\Br)Nc1cccc(c1)O 7e5f0fbe22d623aac5cf8bd784a09215 [0,1,1,0,0,0|2,0,0]=4 265 B13R1.20 O=C(/C=C\Br)Nc1cccc(c1)S bfee6e35a25d45d5411a755c2b213b88 [0,1,1,0,0,0|2,0,0]=4 266 B13R1.20 O=C(/C=C\Cl)Nc1cccc(c1)Cl 811c8be647c3532b3ec910f48ad8dc7b [0,1,1,0,0,0|2,0,0]=4 267 B13R1.20 O=C(/C=C\Cl)Nc1cccc(c1)F cb28c36d7d1fb20bd09b2eef560e734f [0,1,1,0,0,0|2,0,0]=4 268 B13R1.20 O=C(/C=C\Cl)Nc1cccc(c1)I 6ea2bf5de7a8a0f2cc991cdcb6005aee [0,1,1,0,0,0|2,0,0]=4 269 B13R1.20 O=C(/C=C\Cl)Nc1cccc(c1)O a3bbfc0d6ce2a5f79e3758b2a76ff29b [0,1,1,0,0,0|2,0,0]=4 270 B13R1.20 O=C(/C=C\Cl)Nc1cccc(c1)S 947e34624a4c64015c558328205ee28f [0,1,1,0,0,0|2,0,0]=4 271 B13R1.20 O=C(/C=C\I)Nc1cccc(c1)Br f93f674106ec8b19c445f910e4373714 [0,1,1,0,0,0|2,0,0]=4 272 B13R1.20 O=C(/C=C\I)Nc1cccc(c1)Cl 8cdc116c3db1ea17087ca2336768beee [0,1,1,0,0,0|2,0,0]=4 273 B13R1.20 O=C(/C=C\I)Nc1cccc(c1)F 05e91cbd500248acf3217447eb0565bb [0,1,1,0,0,0|2,0,0]=4 274 B13R1.20 O=C(/C=C\I)Nc1cccc(c1)I c02036b3624ee5f82769a70f2b1d2b62 [0,1,1,0,0,0|2,0,0]=4 275 B13R1.20 O=C(/C=C\I)Nc1cccc(c1)O 4a0b454ad4a51864a5b8efebc0162a50 [0,1,1,0,0,0|2,0,0]=4 276 B13R1.20 O=C(/C=C\I)Nc1cccc(c1)S 32c6fb9ef229d00e1734854403738704 [0,1,1,0,0,0|2,0,0]=4 277 B13R1.20 O=C(C=CBr)Nc1cccc(c1)Br a8c9affeeae961943ce2c500eb46e58f [0,1,1,0,0,0|2,0,0]=4 278 B13R1.20 O=C(C=CBr)Nc1cccc(c1)Cl 9b0c5f04545f27608c2baf15d4e22911 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.20 O=C(C=CBr)Nc1cccc(c1)F c72c24b89e6d86a0611bf444b5b3d0b2 [0,1,1,0,0,0|2,0,0]=4 280 B13R1.20 O=C(C=CBr)Nc1cccc(c1)I b87467532e273bdd808e469cfaf1638b [0,1,1,0,0,0|2,0,0]=4 281 B13R1.20 O=C(C=CBr)Nc1cccc(c1)O cca7b581ce0b2d92e290ba71d783295b [0,1,1,0,0,0|2,0,0]=4 282 B13R1.20 O=C(C=CBr)Nc1cccc(c1)S e5eb38433d35853dc19aa00500d78627 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.20 O=C(C=CI)Nc1cccc(c1)Br fb81f1c77de5dc6218b692e96a5a5180 [0,1,1,0,0,0|2,0,0]=4 284 B13R1.20 O=C(C=CI)Nc1cccc(c1)Cl 7a385725a5973e948a77dc3f61645e2a [0,1,1,0,0,0|2,0,0]=4 285 B13R1.20 O=C(C=CI)Nc1cccc(c1)F c683f2d0558abc010599958de48d60d7 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.20 O=C(C=CI)Nc1cccc(c1)I 793492c49f70aeec8a63021365642eab [0,1,1,0,0,0|2,0,0]=4 287 B13R1.20 O=C(C=CI)Nc1cccc(c1)O d671d90421ddd82f3f455b87a1e2cb5a [0,1,1,0,0,0|2,0,0]=4 288 B13R1.20 O=C(C=CI)Nc1cccc(c1)S 07f6f1cedf5a30e3c28dd2e3df889129 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.44 C/C=C/CC(=O)Nc1ccccc1 c69779fe057024aee06d3940b3d21fe1 [0,1,1,0,0,0|1,0,0]=3 290 B13R1.44 C/C=C/CC(=O)Nc1ccccn1 d267513750e940dbb7bc8e7538ddfe12 [0,1,1,0,0,0|2,0,0]=4 291 B13R1.44 C/C=C/CC(=O)Nc1cccnc1 2f34acbd7f36be8510ff0f1342eecd31 [0,1,1,0,0,0|2,0,0]=4 292 B13R1.44 C/C=C/CC(=O)Nc1ccncc1 5858a035aa60f31980a787d70eaa006f [0,1,1,0,0,0|2,0,0]=4 293 B13R1.44 C=C/C=C/C(=O)Nc1ccccc1 5d2518417a5bf85c5d844018d895071f [0,1,1,0,0,0|1,0,1]=4 294 B13R1.44 C=C/C=C\C(=O)Nc1ccccc1 a9f1e5e1f0a28ca6d8cc3e4505951553 [0,1,1,0,0,0|1,0,1]=4 295 B13R1.44 C=CC=CC(=O)Nc1ccccc1 011513e84a2e06999e9ca3a54a9d26bf [0,1,1,0,0,0|1,0,1]=4 296 B13R1.44 CC/C=C/C(=O)Nc1ccccc1 0742c8e5730d0005198a3695a58493bc [0,1,1,0,0,0|1,0,0]=3 297 B13R1.44 CC/C=C/C(=O)Nc1ccccn1 f5a5d03cdd462fe3a280ed36d5f9efdf [0,1,1,0,0,0|2,0,0]=4 298 B13R1.44 CC/C=C/C(=O)Nc1cccnc1 68440a300419bb4ca39734e07b9b48db [0,1,1,0,0,0|2,0,0]=4 299 B13R1.44 CC/C=C/C(=O)Nc1ccncc1 2bc54ab6ef59a7027ab9c60bca9099ed [0,1,1,0,0,0|2,0,0]=4 300 B13R1.44 CC/C=C\C(=O)Nc1ccccc1 6b23463f352aca59fee78e5fbea50cac [0,1,1,0,0,0|1,0,0]=3 301 B13R1.44 CC/C=C\C(=O)Nc1ccccn1 bfe3553da2b16674557a3296126f453b [0,1,1,0,0,0|2,0,0]=4 302 B13R1.44 CC/C=C\C(=O)Nc1cccnc1 2064afbaa4b71a346053689e9e3fbc95 [0,1,1,0,0,0|2,0,0]=4 303 B13R1.44 CC/C=C\C(=O)Nc1ccncc1 79102df20a4bbdde98f6f40c1d995949 [0,1,1,0,0,0|2,0,0]=4 304 B13R1.44 CCC=CC(=O)Nc1ccccc1 7c12816ca832dd8f1b715821a9b07ebc [0,1,1,0,0,0|1,0,0]=3 305 B13R1.44 CCC=CC(=O)Nc1ccccn1 e2b7e1c846038285604d7bce39b988f8 [0,1,1,0,0,0|2,0,0]=4 306 B13R1.44 CCC=CC(=O)Nc1cccnc1 1fe9e6dd84f5a8945e2aab8a378bd0ef [0,1,1,0,0,0|2,0,0]=4 307 B13R1.44 CCC=CC(=O)Nc1ccncc1 63bcc2ba2fa9ff3eb1d51bdb4c1034b1 [0,1,1,0,0,0|2,0,0]=4 308 B13R1.44 CO/C=C/C(=O)Nc1ccccc1 4b4a2c55aece834865a2bb4eacef73d9 [0,1,1,0,0,0|1,0,0]=3 309 B13R1.44 CO/C=C/C(=O)Nc1ccccn1 76dcb0c5b840a585a5bfc914861d74e4 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.44 CO/C=C/C(=O)Nc1cccnc1 af2a726588743f3c56996a283a38e34e [0,1,1,0,0,0|2,0,0]=4 311 B13R1.44 CO/C=C/C(=O)Nc1ccncc1 60c66c783a496c0eaedc71eb14c65e64 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.44 COC=CC(=O)Nc1ccccc1 9f2cd10b4cd2a466fff26a0c3cff9552 [0,1,1,0,0,0|1,0,0]=3 313 B13R1.44 COC=CC(=O)Nc1ccccn1 f79af336355f96b7e6f4c8fc4da82848 [0,1,1,0,0,0|2,0,0]=4 314 B13R1.44 COC=CC(=O)Nc1cccnc1 26c8dee36a967cb7f5f9595dfb855b4f [0,1,1,0,0,0|2,0,0]=4 315 B13R1.44 COC=CC(=O)Nc1ccncc1 77eb20f52896bab9b765c0042a949fb8 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.44 N#CC=CC(=O)Nc1ccccc1 5f0540e2da243fae90a0f84a440eb5d2 [0,1,1,0,0,0|1,0,1]=4 317 B13R1.44 O=C(/C=C/CF)Nc1ccccc1 6a04f4f3ffc40617eb703f8bad14f232 [0,1,1,0,0,0|1,0,0]=3 318 B13R1.44 O=C(/C=C/CF)Nc1ccccn1 ecdf416c511dd53761fe8fe78f1028b2 [0,1,1,0,0,0|2,0,0]=4 319 B13R1.44 O=C(/C=C/CF)Nc1cccnc1 9da0146befc3b52e7457ee4c62888d24 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.44 O=C(/C=C/CF)Nc1ccncc1 4b5cac088c83a81b56051f7f50617230 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.44 O=C(/C=C/CO)Nc1ccccc1 2bdfd1b6ddb89d6fbfd27d4ca7489473 [0,1,1,0,0,0|1,0,0]=3 322 B13R1.44 O=C(/C=C/CO)Nc1ccccn1 805f78428748f6f459e79cd9ea94f9cc [0,1,1,0,0,0|2,0,0]=4 323 B13R1.44 O=C(/C=C/CO)Nc1cccnc1 7b6968ef496db1ca84fc29270b6fa741 [0,1,1,0,0,0|2,0,0]=4 324 B13R1.44 O=C(/C=C/CO)Nc1ccncc1 b32ae74f08e99ed8b5c5611e80163124 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.44 O=C(C=CCO)Nc1ccccc1 370cb638982566387caf03c62ee7ea0c [0,1,1,0,0,0|1,0,0]=3 326 B13R1.44 O=C(C=CCO)Nc1ccccn1 dc759f38210db7c3105438a4ec690a7b [0,1,1,0,0,0|2,0,0]=4 327 B13R1.44 O=C(C=CCO)Nc1cccnc1 cee4eea17550443bbfb66055f6cfc4b7 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.44 O=C(C=CCO)Nc1ccncc1 d3efa6162eeb942719c5f4da1f656305 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.47 C/C=C/C(=O)N(C)c1ccccc1 806fbf7be0112a9717114e50decc3461 [0,1,1,0,0,0|1,0,0]=3 330 B13R1.47 C/C=C/C(=O)N(C)c1ccccn1 afde46fc02312e30becd60e597e9c0a2 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.47 C/C=C/C(=O)N(C)c1cccnc1 f2f4448f58d2a5c4fc9ce7e83b94abe9 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.47 C/C=C/C(=O)N(C)c1ccncc1 d3420cfd5c9e1593f70d02f3b1ab7607 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.47 CN(C(=O)/C=C/Br)c1ccccc1 15757f262d4c1129cc093960933d7880 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.47 CN(C(=O)/C=C/Cl)c1ccccc1 f1620d486e756f9e35faba71861ae4c6 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.47 CN(C(=O)/C=C/I)c1ccccc1 f1d6d350e2237635fc1196c70a9e3f82 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.47 CN(C(=O)/C=C\Br)c1ccccc1 f0219ffcb992d79e92f11f236361ea6c [0,1,1,0,0,0|2,0,0]=4 337 B13R1.47 CN(C(=O)/C=C\Cl)c1ccccc1 31475b5a29a035fd5494bb8064d6555f [0,1,1,0,0,0|2,0,0]=4 338 B13R1.47 CN(C(=O)/C=C\I)c1ccccc1 9e2e4a59ce3edbe978df3c0afe430d90 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.47 CN(C(=O)C=CBr)c1ccccc1 07a2d102f52ec52bc38c06490277c9f4 [0,1,1,0,0,0|2,0,0]=4 340 B13R1.47 CN(C(=O)C=CI)c1ccccc1 e9410ceeaa1536cda6df7b4f3f79bdae [0,1,1,0,0,0|2,0,0]=4 341 B13R1.135 C/C=C(/C)\C(=O)Nc1ccccc1 36d3be3979b4bfcf091d02ede04c695b [0,1,1,0,0,0|1,0,0]=3 342 B13R1.135 C/C=C(/C)\C(=O)Nc1ccccn1 bf120005e9fa2cbc5a305d4024b9cadc [0,1,1,0,0,0|2,0,0]=4 343 B13R1.135 C/C=C(/C)\C(=O)Nc1cccnc1 fded5881c60726efaf5e32aa33bebdb0 [0,1,1,0,0,0|2,0,0]=4 344 B13R1.135 C/C=C(/C)\C(=O)Nc1ccncc1 fd7231d55dff452f2b1278b4fd11e41e [0,1,1,0,0,0|2,0,0]=4 345 B13R1.135 C/C=C(\Br)/C(=O)Nc1ccccc1 4bd6d72546a8dc929e0a44f63e4546b6 [0,1,1,0,0,0|1,0,0]=3 346 B13R1.135 C/C=C(\Br)/C(=O)Nc1ccccn1 a3f185d82896ad47601fc6111903bc04 [0,1,1,0,0,0|2,0,0]=4 347 B13R1.135 C/C=C(\Br)/C(=O)Nc1cccnc1 1af06aa43b72bdbe37f1a0cd7fdeec77 [0,1,1,0,0,0|2,0,0]=4 348 B13R1.135 C/C=C(\Br)/C(=O)Nc1ccncc1 1ba8bbd916d99383406e27628f1d421e [0,1,1,0,0,0|2,0,0]=4 349 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 6f6f562818865fa03f3d70f022ad24cf [0,1,1,0,0,0|1,0,0]=3 350 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccn1 3a9ae2cc6be2b83e230d10744092c4ae [0,1,1,0,0,0|2,0,0]=4 351 B13R1.135 C/C=C(\C)/C(=O)Nc1cccnc1 8b92ade4ea51d78d36eb3953a831e2ce [0,1,1,0,0,0|2,0,0]=4 352 B13R1.135 C/C=C(\C)/C(=O)Nc1ccncc1 09aaf9107df452bb91624dd30163de1d [0,1,1,0,0,0|2,0,0]=4 353 B13R1.135 C/C=C(\Cl)/C(=O)Nc1ccccn1 f8fa66753402f611b8d36bcfaa9aaa15 [0,1,1,0,0,0|2,0,0]=4 354 B13R1.135 C/C=C(\Cl)/C(=O)Nc1cccnc1 86fa793438e113b00104ebc33ea5cc4b [0,1,1,0,0,0|2,0,0]=4 355 B13R1.135 C/C=C(\Cl)/C(=O)Nc1ccncc1 319ee10f0fda6c380e0b47afe8c2a62d [0,1,1,0,0,0|2,0,0]=4 356 B13R1.135 C/C=C(\O)/C(=O)Nc1ccccc1 eee0e1ff497f724ce424d80b97609a0c [0,1,1,0,0,0|1,0,0]=3 357 B13R1.135 C/C=C(\O)/C(=O)Nc1ccccn1 853aa20a0b52ecc933726a0911569e75 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.135 C/C=C(\O)/C(=O)Nc1cccnc1 bd1b7b8d46cffa579aaa5834856667a5 [0,1,1,0,0,0|2,0,0]=4 359 B13R1.135 C/C=C(\O)/C(=O)Nc1ccncc1 40f0f1669f35edfd9bb536394fb83d76 [0,1,1,0,0,0|2,0,0]=4 360 B13R1.135 C=CC(=O)C(=O)Nc1ccccc1 cea5efc407a0553f9473edaa659ae4e0 [0,1,1,0,0,0|1,0,1]=4 361 B13R1.135 CC=C(C)C(=O)Nc1ccccc1 fbe8483b5219b345554dc8c93d5e7765 [0,1,1,0,0,0|1,0,0]=3 362 B13R1.135 CC=C(C)C(=O)Nc1ccccn1 0c800cf4ecf377f045700fd0129e535d [0,1,1,0,0,0|2,0,0]=4 363 B13R1.135 CC=C(C)C(=O)Nc1cccnc1 2889d3ff84e3ad8ba0c93c4d3f0a6966 [0,1,1,0,0,0|2,0,0]=4 364 B13R1.135 CC=C(C)C(=O)Nc1ccncc1 90bbbdad3873bff42c622256992f80f3 [0,1,1,0,0,0|2,0,0]=4 365 B13R1.348 C/C(=C/C(=O)Nc1ccccc1)/Cl 71d04c03ab04dce12be82d9cd3e22da7 [0,1,1,0,0,0|1,0,0]=3 366 B13R1.348 C/C(=C/C(=O)Nc1ccccc1)/I 4d2f20ae9c2ee1d97df7e680bea6faf3 [0,1,1,0,0,0|1,0,0]=3 367 B13R1.348 C/C(=C/C(=O)Nc1ccccn1)/Cl 9fc33a1d1931df9e5a9a34640fc09938 [0,1,1,0,0,0|2,0,0]=4 368 B13R1.348 C/C(=C/C(=O)Nc1ccccn1)/I d204646cecbacfa677754b27419191f7 [0,1,1,0,0,0|2,0,0]=4 369 B13R1.348 C/C(=C/C(=O)Nc1cccnc1)/Cl 4a8e03c788f4164388d34723ef0d6772 [0,1,1,0,0,0|2,0,0]=4 370 B13R1.348 C/C(=C/C(=O)Nc1cccnc1)/I 91cfd9d560f279be184b751c8c0c9420 [0,1,1,0,0,0|2,0,0]=4 371 B13R1.348 C/C(=C/C(=O)Nc1ccncc1)/Cl 6b6756a46f192d663aafe90d035e9b02 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.348 C/C(=C/C(=O)Nc1ccncc1)/I a17862cbd1ed4aa5a675cf2c8a1911fe [0,1,1,0,0,0|2,0,0]=4 373 B13R1.348 C/C(=C\C(=O)Nc1ccccc1)/Cl 379720f3fb5f3e7a2c485365ee89d739 [0,1,1,0,0,0|1,0,0]=3 374 B13R1.348 C/C(=C\C(=O)Nc1ccccn1)/Cl f6353debf39943efea52b4743956893a [0,1,1,0,0,0|2,0,0]=4 375 B13R1.348 C/C(=C\C(=O)Nc1cccnc1)/Cl 5e3ae0175d35dd3c3718688569bf6e8b [0,1,1,0,0,0|2,0,0]=4 376 B13R1.348 C/C(=C\C(=O)Nc1ccncc1)/Cl d9c87fb3a7bc9ba2ce653a213c8670db [0,1,1,0,0,0|2,0,0]=4 377 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1d0a06923d166ac3f7dad59f4831ae4a [0,1,1,0,0,0|1,0,0]=3 378 B13R1.348 CC(=CC(=O)Nc1ccccc1)I b10185540f5a9a294d4b6b770d4d2e96 [0,1,1,0,0,0|1,0,0]=3 379 B13R1.348 CC(=CC(=O)Nc1ccccn1)C b1ceec6308a4132858848efc60ce6fcb [0,1,1,0,0,0|2,0,0]=4 380 B13R1.348 CC(=CC(=O)Nc1ccccn1)I 93e20cf984c89f8e2d62b5a63198e9d5 [0,1,1,0,0,0|2,0,0]=4 381 B13R1.348 CC(=CC(=O)Nc1cccnc1)C c98c5a5322e62582184121b42743e870 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.348 CC(=CC(=O)Nc1cccnc1)I 5f87e5f202d4bab02b31fad72cf3c085 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.348 CC(=CC(=O)Nc1ccncc1)C 96978c0802e5f4b278ceea9dde97b562 [0,1,1,0,0,0|2,0,0]=4 384 B13R1.348 CC(=CC(=O)Nc1ccncc1)I 182ec60ecad09e3c208bad3b05f81f11 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.348 O=C(C=C(Br)Br)Nc1ccccc1 2b62eaff2f486d93ba374b07a576e94c [0,1,1,0,0,0|2,0,0]=4 386 B13R1.348 O=C(C=C(Cl)Cl)Nc1ccccc1 81d144c8abe375f42b26081e6488cbbd [0,1,1,0,0,0|2,0,0]=4 387 B13R1.470 C/C=C/C(=O)Nc1cccc[n+]1[O-] 81b397f09459e8764b4a4ca5a8221624 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.470 C/C=C/C(=O)Nc1ccccc1Br db8430355921f3ac572f605bc9750e36 [0,1,1,0,0,0|1,0,0]=3 389 B13R1.470 C/C=C/C(=O)Nc1ccccc1C e334632c48402ad14a9631e9225f7396 [0,1,1,0,0,0|1,0,0]=3 390 B13R1.470 C/C=C/C(=O)Nc1ccccc1Cl 2a71b9ee1afaaeb108867839dec9b680 [0,1,1,0,0,0|1,0,0]=3 391 B13R1.470 C/C=C/C(=O)Nc1ccccc1F 2f52e677b46beec3309c1d8e48c0f61b [0,1,1,0,0,0|1,0,0]=3 392 B13R1.470 C/C=C/C(=O)Nc1ccccc1I 9556c18604688f0df6d6a5dceff1e479 [0,1,1,0,0,0|1,0,0]=3 393 B13R1.470 C/C=C/C(=O)Nc1ccccc1O 340ff905c7800533e7f1854770729e74 [0,1,1,0,0,0|1,0,0]=3 394 B13R1.470 C/C=C/C(=O)Nc1ccccc1S 5412daf372f19d2b4a7b533727a54698 [0,1,1,0,0,0|1,0,0]=3 395 B13R1.470 C/C=C/C(=O)Nc1cccnc1Br 0a4722130b8bf5f1daa721b0d3f7d214 [0,1,1,0,0,0|2,0,0]=4 396 B13R1.470 C/C=C/C(=O)Nc1cccnc1C 0fd1b03514a2b89a9af06f52bbf1ca32 [0,1,1,0,0,0|2,0,0]=4 397 B13R1.470 C/C=C/C(=O)Nc1cccnc1Cl a020b13b452393121c1da2d3663754e8 [0,1,1,0,0,0|2,0,0]=4 398 B13R1.470 C/C=C/C(=O)Nc1cccnc1F c5e695fcb4eb00233caaf87eb6c4647c [0,1,1,0,0,0|2,0,0]=4 399 B13R1.470 C/C=C/C(=O)Nc1cccnc1I a77aa66fccb8ed4e80c47a16a232fac2 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.470 C/C=C/C(=O)Nc1cccnc1O a308e93cd6c1aeed441ba76d801f8bab [0,1,1,0,0,0|2,0,0]=4 401 B13R1.470 C/C=C/C(=O)Nc1ccncc1Br f79473d064afd9740027f0ed5f5a5ad6 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.470 C/C=C/C(=O)Nc1ccncc1C 66f0177d7e1fde2b078f076deb4662b7 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.470 C/C=C/C(=O)Nc1ccncc1Cl 25810beb219f3378db8615cac9351b02 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.470 C/C=C/C(=O)Nc1ccncc1F 700d0891458c2a1d63bfb09a5cd2f742 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.470 C/C=C/C(=O)Nc1ccncc1I 15a6df3b81fefd0a163728d31b5722d2 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.470 C/C=C/C(=O)Nc1cnccc1Br 0b32ec2a05769394166ab67b9b1f3c54 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.470 C/C=C/C(=O)Nc1cnccc1C 8ffa383b52fcfb4eaa180f7747a52735 [0,1,1,0,0,0|2,0,0]=4 408 B13R1.470 C/C=C/C(=O)Nc1cnccc1F bed03739360d2775bdf887620fa5f7b5 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.470 C/C=C/C(=O)Nc1cnccc1I 356ae4cd0f85cddb8bfa1c2eb3ab1aa8 [0,1,1,0,0,0|2,0,0]=4 410 B13R1.470 C/C=C/C(=O)Nc1cnccc1O e6aebbe7eef67e7b2f1d6eb45664de55 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.470 C/C=C/C(=O)Nc1cnccc1S 1437f5d1287f786b434d04b3f9a88ae0 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.470 C/C=C/C(=O)Nc1ncccc1Br 178f6c690b2e9e4d6e67e84ae8f255cb [0,1,1,0,0,0|2,0,0]=4 413 B13R1.470 C/C=C/C(=O)Nc1ncccc1C ed26c75fa8be2aab6f0ed686eceb7abb [0,1,1,0,0,0|2,0,0]=4 414 B13R1.470 C/C=C/C(=O)Nc1ncccc1Cl b954ac374ab24b3b957f01a6a0500ec1 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.470 C/C=C/C(=O)Nc1ncccc1F 25405603b16a6d2ecdf648e72891f81b [0,1,1,0,0,0|2,0,0]=4 416 B13R1.470 C/C=C/C(=O)Nc1ncccc1I b8f8cba9cd1b1ebc78d962e468840eb6 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.470 C/C=C/C(=O)Nc1ncccc1O 587f9c40ae65445e6529ee1fecf4bc65 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.470 Cc1ccccc1NC(=O)/C=C/Br 33ae5be0095353c87310cccf79cd5ba1 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.470 Cc1ccccc1NC(=O)/C=C/Cl 4dea5ec84a240c7bba76e54834d74266 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.470 Cc1ccccc1NC(=O)/C=C/I 6143ffc19babfbb9ddecf9a01eb63a02 [0,1,1,0,0,0|2,0,0]=4 421 B13R1.470 Cc1ccccc1NC(=O)/C=C\Br c9cc3c8fcbf25caa409b98742e4aae66 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.470 Cc1ccccc1NC(=O)/C=C\Cl e5a879f506986ebfcea54ebc0fb90bcc [0,1,1,0,0,0|2,0,0]=4 423 B13R1.470 Cc1ccccc1NC(=O)/C=C\I 449b1868e55917715bf674c2897570cf [0,1,1,0,0,0|2,0,0]=4 424 B13R1.470 Cc1ccccc1NC(=O)C=CBr 45d7e1553e8add72e7e60259d2406d0c [0,1,1,0,0,0|2,0,0]=4 425 B13R1.470 Cc1ccccc1NC(=O)C=CI df2dc99b50f5e22223257a56987b1bee [0,1,1,0,0,0|2,0,0]=4 426 B13R1.470 O=C(/C=C/Br)Nc1ccccc1Br 4ff2f518662c2cf11a0ae5082035c9fe [0,1,1,0,0,0|2,0,0]=4 427 B13R1.470 O=C(/C=C/Br)Nc1ccccc1Cl 8dba10c039f8e81c5c485b98c2acdef7 [0,1,1,0,0,0|2,0,0]=4 428 B13R1.470 O=C(/C=C/Br)Nc1ccccc1F 4a8521dccea728f4d816f37a59cde7ef [0,1,1,0,0,0|2,0,0]=4 429 B13R1.470 O=C(/C=C/Br)Nc1ccccc1I 675b2777982f212345986e9909cf4b9d [0,1,1,0,0,0|2,0,0]=4 430 B13R1.470 O=C(/C=C/Br)Nc1ccccc1O 429c9eaf32a475e2e9b32544c349fad8 [0,1,1,0,0,0|2,0,0]=4 431 B13R1.470 O=C(/C=C/Br)Nc1ccccc1S 8bb4691b1e5d9e343d79750841f11bef [0,1,1,0,0,0|2,0,0]=4 432 B13R1.470 O=C(/C=C/Cl)Nc1ccccc1Br a9cdafd4046c70a60b49a131461171bf [0,1,1,0,0,0|2,0,0]=4 433 B13R1.470 O=C(/C=C/Cl)Nc1ccccc1Cl 9230680579a7cc0b2d8560fffbe9f8e6 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.470 O=C(/C=C/Cl)Nc1ccccc1F 1ed7d95f2d1baeea63eee9962c0e5364 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.470 O=C(/C=C/Cl)Nc1ccccc1I 6a3e40ca6f308cdbeaf279838a8e86ed [0,1,1,0,0,0|2,0,0]=4 436 B13R1.470 O=C(/C=C/Cl)Nc1ccccc1O 3552775d8bfd35f2843efaf1881b9348 [0,1,1,0,0,0|2,0,0]=4 437 B13R1.470 O=C(/C=C/Cl)Nc1ccccc1S 31f9d342baea96e1f93cbe4ab2471a45 [0,1,1,0,0,0|2,0,0]=4 438 B13R1.470 O=C(/C=C/I)Nc1ccccc1Br b044b7042ff82a6c27e55c3c8e8dd0eb [0,1,1,0,0,0|2,0,0]=4 439 B13R1.470 O=C(/C=C/I)Nc1ccccc1Cl 213086ea6a2868a3c8c8a416b27da2cc [0,1,1,0,0,0|2,0,0]=4 440 B13R1.470 O=C(/C=C/I)Nc1ccccc1F a1747811bc8094ed7bffbeb521a6e8c7 [0,1,1,0,0,0|2,0,0]=4 441 B13R1.470 O=C(/C=C/I)Nc1ccccc1I cdb386c2697af1bca87a16ff95d23995 [0,1,1,0,0,0|2,0,0]=4 442 B13R1.470 O=C(/C=C/I)Nc1ccccc1O fb9deee0f3ad7639c6b33fec1b4ef96b [0,1,1,0,0,0|2,0,0]=4 443 B13R1.470 O=C(/C=C/I)Nc1ccccc1S e2bf17a19c92d2d75ae8453b881d92b7 [0,1,1,0,0,0|2,0,0]=4 444 B13R1.470 O=C(/C=C\Br)Nc1ccccc1Br 0a728fd6e48e4896e82727fccf7c5b8c [0,1,1,0,0,0|2,0,0]=4 445 B13R1.470 O=C(/C=C\Br)Nc1ccccc1Cl 00d279a52ddfe876c180762d07394291 [0,1,1,0,0,0|2,0,0]=4 446 B13R1.470 O=C(/C=C\Br)Nc1ccccc1F 155776b9f782caec96e0961851cb02b2 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.470 O=C(/C=C\Br)Nc1ccccc1I 0467c500ba13f6d72595133d61ac17b8 [0,1,1,0,0,0|2,0,0]=4 448 B13R1.470 O=C(/C=C\Br)Nc1ccccc1O eed5b84784a083a629cab3f12c7095db [0,1,1,0,0,0|2,0,0]=4 449 B13R1.470 O=C(/C=C\Br)Nc1ccccc1S 7089da417ba6474d7ff333ee5a649a5c [0,1,1,0,0,0|2,0,0]=4 450 B13R1.470 O=C(/C=C\Cl)Nc1ccccc1Br ef52cf9989697274735dd3c7e26d2d1c [0,1,1,0,0,0|2,0,0]=4 451 B13R1.470 O=C(/C=C\Cl)Nc1ccccc1Cl 254d4f209c260d6593a88a943164c699 [0,1,1,0,0,0|2,0,0]=4 452 B13R1.470 O=C(/C=C\Cl)Nc1ccccc1F 3aae1bdd984711be6da2ca929a4de286 [0,1,1,0,0,0|2,0,0]=4 453 B13R1.470 O=C(/C=C\Cl)Nc1ccccc1I 24a9f327b664578c579d1e104732aca5 [0,1,1,0,0,0|2,0,0]=4 454 B13R1.470 O=C(/C=C\Cl)Nc1ccccc1O 266956b9ac55b40d522599bc885be701 [0,1,1,0,0,0|2,0,0]=4 455 B13R1.470 O=C(/C=C\Cl)Nc1ccccc1S 38d8d9858e560b3266c89b71789729d2 [0,1,1,0,0,0|2,0,0]=4 456 B13R1.470 O=C(/C=C\I)Nc1ccccc1Br f874819b06024bbca4be2bf3e1148a21 [0,1,1,0,0,0|2,0,0]=4 457 B13R1.470 O=C(/C=C\I)Nc1ccccc1Cl c163d0a91f8fd356315807ab33ae969b [0,1,1,0,0,0|2,0,0]=4 458 B13R1.470 O=C(/C=C\I)Nc1ccccc1F 9c7f3c27aaf9b52942b5bbfcbbf65a35 [0,1,1,0,0,0|2,0,0]=4 459 B13R1.470 O=C(/C=C\I)Nc1ccccc1I a694b9d4cf59c2f97d0be11beffb863b [0,1,1,0,0,0|2,0,0]=4 460 B13R1.470 O=C(/C=C\I)Nc1ccccc1O e1765675c9ed78350d6dc75af0b21640 [0,1,1,0,0,0|2,0,0]=4 461 B13R1.470 O=C(/C=C\I)Nc1ccccc1S 33b92ee7ef808844d65c54ffc11fb148 [0,1,1,0,0,0|2,0,0]=4 462 B13R1.470 O=C(C=CBr)Nc1ccccc1Br 8f669853ce73ee31d9ed039a021b5184 [0,1,1,0,0,0|2,0,0]=4 463 B13R1.470 O=C(C=CBr)Nc1ccccc1Cl 8823c2006d51cbfbc4ae23ce91678918 [0,1,1,0,0,0|2,0,0]=4 464 B13R1.470 O=C(C=CBr)Nc1ccccc1F 12f56e64215250e0fa57ea4d19b2ee70 [0,1,1,0,0,0|2,0,0]=4 465 B13R1.470 O=C(C=CBr)Nc1ccccc1I 9930dd91638d67044ed7d43dde789dfe [0,1,1,0,0,0|2,0,0]=4 466 B13R1.470 O=C(C=CBr)Nc1ccccc1O 8f47a60859b6b1c890c5efd26a50e080 [0,1,1,0,0,0|2,0,0]=4 467 B13R1.470 O=C(C=CBr)Nc1ccccc1S d7991a220aab910abcafbc4134fa9fbc [0,1,1,0,0,0|2,0,0]=4 468 B13R1.470 O=C(C=CI)Nc1ccccc1Br f9111696dd9c49ee18ea89b4a2c86a62 [0,1,1,0,0,0|2,0,0]=4 469 B13R1.470 O=C(C=CI)Nc1ccccc1Cl b8fdd91704fba0c93ee42e445aefa4d8 [0,1,1,0,0,0|2,0,0]=4 470 B13R1.470 O=C(C=CI)Nc1ccccc1F 722760753425cf019722cf4f591cbdd0 [0,1,1,0,0,0|2,0,0]=4 471 B13R1.470 O=C(C=CI)Nc1ccccc1I c7fdccb8d6d7a51677a146225092bedc [0,1,1,0,0,0|2,0,0]=4 472 B13R1.470 O=C(C=CI)Nc1ccccc1O 9362a6a6779f50c21116ddc717e4b9b1 [0,1,1,0,0,0|2,0,0]=4 473 B13R1.470 O=C(C=CI)Nc1ccccc1S 79f96568ad44b15e280a398592c396ee [0,1,1,0,0,0|2,0,0]=4 474 B13R1.91 C=CC(=O)Nc1ccccc1C=C 1ac12ee3c174ef750808d5edc13a2beb [0,1,1,0,0,0|1,0,1]=4 475 B13R1.91 C=CC(=O)Nc1ccccc1C=O 65d86af96122000defc423a660e8803f [0,1,1,0,0,0|2,0,0]=4 476 B13R1.91 C=CC(=O)Nc1ccccc1CC b91e8dbbc3cd80c1abce066db62c6e9b [0,1,1,0,0,0|1,0,1]=4 477 B13R1.91 C=CC(=O)Nc1ccccc1OC d42879e10a2c22d3609c50efe454cb08 [0,1,1,0,0,0|2,0,0]=4 478 B13R1.91 C=CC(=O)Nc1ccccc1SC b3c1b30899fbb61bedc70b41e2071472 [0,1,1,0,0,0|2,0,0]=4 479 B13R1.91 C=Cc1ccccc1NC(=O)C=O b3ac91db34e65fc91e84e9e88eac0332 [0,1,1,0,0,0|1,0,1]=4 480 B13R1.91 CCc1ccccc1NC(=O)C=O 8ab52db30447b0c813f18df1a7ede1aa [0,1,1,0,0,0|1,0,1]=4 481 B13R1.91 COc1ccccc1NC(=O)C=O 05c5da973e12ce184f9ddff8ed8a2096 [0,1,1,0,0,0|2,0,0]=4 482 B13R1.91 CSc1ccccc1NC(=O)C=O b368a4c9822c920e21bf2c135ffea434 [0,1,1,0,0,0|2,0,0]=4 483 B13R1.91 O=CC(=O)Nc1ccccc1C=O 0f4e468224165ad763b0a079aa0b05e7 [0,1,1,0,0,0|2,0,0]=4 484 B13R1.589 C=C(C)c1ccccc1NC(=O)C 1a60bf5ec0dceaf9f057e9fb2b223c5d [0,1,1,0,0,0|1,0,1]=4 485 B13R1.589 CC(=O)Nc1ccccc1C(=O)C add3b921fb5586c48551d80d0cf12e9f [0,1,1,0,0,0|1,0,1]=4 486 B13R1.11 COC(=O)CN(C)c1ccccc1 a6a5c684a2d978a83189839443c4b228 [0,1,1,0,0,0|1,0,1]=4 487 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 77521c471a2ac38d26a3087815092f7b [0,1,1,0,0,0|1,0,1]=4 488 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 04baef53cf2d6fcb507691d2ae63ad24 [0,1,1,0,0,0|1,0,1]=4 489 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 8bfce667190d2cf31f90cc14b92aadc3 [0,1,1,0,0,0|1,0,1]=4 490 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 822d1ad22b02836a30dd6f65435cec94 [0,1,1,0,0,0|1,0,1]=4 491 B13R1.132 CN(CC(=O)O)c1ccc(cc1)S 9b350cf29cc7e62e42ee5f86d172b85a [0,1,1,0,0,0|1,0,1]=4 492 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)O 141c7daee4de318c169bcb830b89757f [0,1,1,0,0,0|1,0,1]=4 493 B13R1.147 CN(CC(=O)O)c1cccc(c1)Br da2b5618b477375a2c324e4ee3d8c34b [0,1,1,0,0,0|1,0,1]=4 494 B13R1.147 CN(CC(=O)O)c1cccc(c1)Cl 9b1e76bbda4e7468163ac8fe39c48524 [0,1,1,0,0,0|1,0,1]=4 495 B13R1.147 CN(CC(=O)O)c1cccc(c1)F 8d372f39996cb5fca0277aca5156ae25 [0,1,1,0,0,0|1,0,1]=4 496 B13R1.147 CN(CC(=O)O)c1cccc(c1)I aea8895360a6f27f93d93717b4fdf706 [0,1,1,0,0,0|1,0,1]=4 497 B13R1.147 Cc1cccc(c1)N(C)CC(=O)O 7072ec909a0ccb0cdac7557f0adf42dc [0,1,1,0,0,0|1,0,1]=4 498 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 96007388e680efa8a3a20b24b5da7b6d [0,1,1,0,0,0|1,0,1]=4 499 B13R1.201 CN(CC(=O)O)c1ccccc1F 38ef93de831fdd5cceeaa08f11e3293f [0,1,1,0,0,0|1,0,1]=4 500 B13R1.201 Cc1ccccc1N(C)CC(=O)O fc7bdb837f828e57d5d053527d48db77 [0,1,1,0,0,0|1,0,1]=4 501 B13R1.713 CCN(CC(=O)O)c1ccccc1 f96341975e42fad0db4dd3b5f9c74de6 [0,1,1,0,0,0|1,0,1]=4 502 B13R1.713 O=C(O)CN(CF)c1ccccc1 a3caf704ddd248b168fd9be9174bf4f2 [0,1,1,0,0,0|1,0,1]=4 503 B13R1.713 O=C(O)CN(CO)c1ccccc1 5b5f965cd3b36b6fc0dca8437253b5b4 [0,1,1,0,0,0|1,0,1]=4 504 B13R1.141 C=C(C)c1cc(ccc1NC=O)F c854e875e6d65d3e98252a0d32aa873a [0,1,1,0,0,0|1,0,0]=3 505 B13R1.141 CC(=O)c1cc(ccc1NC=O)Br 6e708ac9fe4cdb1b2ae73b39611db97f [0,1,1,0,0,0|2,0,0]=4 506 B13R1.141 CC(=O)c1cc(ccc1NC=O)C efc9826c62a920120fac0d26c0ed6b4d [0,1,1,0,0,0|2,0,0]=4 507 B13R1.141 CC(=O)c1cc(ccc1NC=O)Cl 85a2f55385ad41172dd8b0e73f2ae0c0 [0,1,1,0,0,0|2,0,0]=4 508 B13R1.141 CC(=O)c1cc(ccc1NC=O)F c4061ee54b306da9907f129d6bd432fb [0,1,1,0,0,0|2,0,0]=4 509 B13R1.141 CC(=O)c1cc(ccc1NC=O)I e95ded8f5c3ccede65d2bfb7ad7ac6f3 [0,1,1,0,0,0|2,0,0]=4 510 B13R1.141 CC(=O)c1cc(ccc1NC=O)O 26eea4c20c522915d2107adf943bf6fc [0,1,1,0,0,0|2,0,0]=4 511 B13R1.356 CC(=O)c1ccc(cc1NC=O)Br 0383f47390d35c85e4f09d26e2471b7f [0,1,1,0,0,0|2,0,0]=4 512 B13R1.356 CC(=O)c1ccc(cc1NC=O)C 67f3fbca6982f17eed1f8281816bcd6f [0,1,1,0,0,0|2,0,0]=4 513 B13R1.356 CC(=O)c1ccc(cc1NC=O)Cl 9e65dae1ba09e310bbf33e05c6fefe71 [0,1,1,0,0,0|2,0,0]=4 514 B13R1.356 CC(=O)c1ccc(cc1NC=O)F ddfdfb816fb076d0c78136f6a205ab00 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.356 CC(=O)c1ccc(cc1NC=O)O 0b0dc51260e463a238b76d2df41ba8fc [0,1,1,0,0,0|2,0,0]=4 516 B13R1.382 CCC(=O)c1ccccc1NC=O 1a79de358f4e3915306c18b7a034969d [0,1,1,0,0,0|2,0,0]=4 517 B13R1.382 CNC(=O)c1ccccc1NC=O d3df0661651a92c53531b1af96ead53a [0,1,1,0,0,0|2,0,0]=4 518 B13R1.382 O=CNc1ccccc1C(=O)CCl 04424800a697f48e5d36b7f9d75c07c4 [0,1,1,0,0,0|2,0,0]=4 519 B13R1.547 CC(=O)c1ccccc1N(C)C=O 7a482848dd86b7872a46a9b276207449 [0,1,1,0,0,0|2,0,0]=4 520 B13R1.572 C=C(C)c1ccccc1COCC 410b26e77385e5d01b15b327a06c7d49 [0,1,1,0,0,0|1,0,1]=4 521 B13R1.572 C=C(C)c1ccccc1COCF a8b25f99409ce45ec51640286ae72be7 [0,1,1,0,0,0|1,0,1]=4 522 B13R1.572 C=C(C)c1ccccc1NCC=O 062cec6c0b13c4f53cca382977c848b0 [0,1,1,0,0,0|1,0,0]=3 523 B13R1.572 C=CCNc1ccccc1C(=C)C 3502ff8aef1770623dcc937472e266dc [0,1,1,0,0,0|2,0,0]=4 524 B13R1.572 C=CCOc1ccccc1C(=O)C 673137e8ed759c431fdd05338f0db432 [0,1,1,0,0,0|2,0,0]=4 525 B13R1.572 CC(=O)c1ccccc1NCC=O 53c6882d9cbca7bc84eaafcd670b834c [0,1,1,0,0,0|2,0,0]=4 526 B13R1.572 CC(=O)c1ccccc1OCC=O 7e4efe76907dca40a3779d5cea8fc8e0 [0,1,1,0,0,0|1,0,0]=3 527 B13R1.572 CC(=O)c1ccncc1OCC=O c56ba6ccf6786221ea4362d6d4de2a5a [0,1,1,0,0,0|2,0,0]=4 528 B13R1.572 CC(=O)c1ncccc1OCC=O 2de8ecd00c348ad4d9c88df658bd7da4 [0,1,1,0,0,0|2,0,0]=4 529 B13R1.572 CC(C)c1ccccc1OCC=O b1ce43de8996625a11c4e7e3d6e0d14d [0,1,1,0,0,0|0,0,2]=4 530 B13R1.572 CN(C)c1ccccc1OCC=O 988ed6d5618ad460ca978663eec88d02 [0,1,1,0,0,0|1,0,1]=4 531 B13R1.572 CS(=O)c1ccccc1OCC=O ac40c3d5bb79483d9ad42b85e7d9b5af [0,1,1,0,0,0|2,0,0]=4 532 B13R1.572 NC(=O)c1ccccc1OCC=O 93265980181ca276296a997b04537ee1 [0,1,1,0,0,0|2,0,0]=4 533 B13R1.572 NC(=S)c1ccccc1OCC=O add3775cc514aa7f6c86c8a551a9366b [0,1,1,0,0,0|2,0,0]=4 534 B13R1.572 O=CCOc1ccccc1C(=O)O f4927e92ff47b8ae13ba4e2fe99af873 [0,1,1,0,0,0|2,0,0]=4 535 B13R1.2897 CC(=O)c1c(cccc1NC=O)Br e7dc79ef1fe9f5d3a4056c9a3d8653fc [0,1,1,0,0,0|2,0,0]=4 536 B13R1.2897 CC(=O)c1c(cccc1NC=O)Cl 2a91166c5ad52870f17d6b0e18993e5e [0,1,1,0,0,0|2,0,0]=4 537 B13R1.2897 CC(=O)c1c(cccc1NC=O)F 3935ae5f2b7b7c7a8b882f34999b03a4 [0,1,1,0,0,0|2,0,0]=4 538 B13R1.4012 C=C(C)c1nccc(c1NC=O)C 92de984d1f8697c0ee3cb2885c7b7b5b [0,1,1,0,0,0|2,0,0]=4 539 B13R1.4012 CC(=O)c1cccc(c1NC=O)Br 939f4a408b7839eeaa6b6a1757addee2 [0,1,1,0,0,0|2,0,0]=4 540 B13R1.4012 CC(=O)c1cccc(c1NC=O)C 4ee1664932f7e76e5dde4bb695684cc7 [0,1,1,0,0,0|2,0,0]=4 541 B13R1.4012 CC(=O)c1cccc(c1NC=O)Cl d10cb726c886367ca4a9f05ea8e285be [0,1,1,0,0,0|2,0,0]=4 542 B13R1.4012 CC(=O)c1cccc(c1NC=O)F 2843a798decee6e7440de060988db4e1 [0,1,1,0,0,0|2,0,0]=4 543 B13R1.4012 CC(=O)c1cccc(c1NC=O)O 906f5d74d844fbe1ca114d7de98a5945 [0,1,1,0,0,0|2,0,0]=4 544 B13R1.173 O=CN[C@@H](CO)c1ccccc1O 8f7102e71e07a0bf0ad0f762a41d0b44 [0,1,1,0,0,0|1,0,1]=4 545 B13R1.446 CC(NC=O)c1cc(ccc1O)F f9cf5b37462c1e20f3b6f847542f927f [0,1,1,0,0,0|1,0,1]=4 546 B13R1.446 C[C@@H](NC=O)c1cc(ccc1O)F c96bb4bbcde5e9d4a9cd0d02b0f29bb6 [0,1,1,0,0,0|1,0,1]=4 547 B13R1.464 CC(NC=O)c1ccccc1CO 6642ab1d2fbecea266bc0ce98ce78f29 [0,1,1,0,0,0|1,0,1]=4 548 B13R1.464 CN(CC=O)c1ccccc1CO bb76e7261127f5c0935b7932b31484d3 [0,1,1,0,0,0|1,0,1]=4 549 B13R1.464 COc1ccccc1C(C)NC=O fe7fcbb6a22a4758839fb4f65214419a [0,1,1,0,0,0|1,0,1]=4 550 B13R1.464 COc1ccccc1N(C)CC=O 71ff3ac6baefb70a49b497030ef3204c [0,1,1,0,0,0|1,0,1]=4 551 B13R1.464 COc1ccccc1[C@@H](C)NC=O 59a334bc75774c8b87f973939197e94a [0,1,1,0,0,0|1,0,1]=4 552 B13R1.464 COc1ccccc1[C@H](C)NC=O 2e7b76e0e0f86c65ff368f8a671b40fb [0,1,1,0,0,0|1,0,1]=4 553 B13R1.464 C[C@@H](NC=O)c1ccccc1CO 99d5d467364bc2edb12a6ef75604ffe1 [0,1,1,0,0,0|1,0,1]=4 554 B13R1.464 C[C@H](NC=O)c1ccccc1CO 185ac4e0495bf171a78b06d6c33abe0b [0,1,1,0,0,0|1,0,1]=4 555 B13R1.696 C=CC(=O)N(C)c1ccccc1O 81a271c7ee096d76ec90825042ebd7ab [0,1,1,0,0,0|2,0,0]=4 556 B13R1.696 CN(C(=O)C=O)c1ccccc1Br fd5a797de8eea62d90abeeb720a092ca [0,1,1,0,0,0|2,0,0]=4 557 B13R1.696 CN(C(=O)C=O)c1ccccc1Cl 4b15cc19a5b54cbf5ae28d97d1563ef4 [0,1,1,0,0,0|2,0,0]=4 558 B13R1.696 CN(C(=O)C=O)c1ccccc1F 4d8e876d108b83c155b784253c23a4f4 [0,1,1,0,0,0|2,0,0]=4 559 B13R1.696 CN(C(=O)C=O)c1ccccc1O cf73309a320eff9a4f04c948ccbdeff8 [0,1,1,0,0,0|1,0,0]=3 560 B13R1.696 Cc1ccccc1N(C)C(=O)C=O 1c0b5942b94be37ea00310e1d3fcd36c [0,1,1,0,0,0|2,0,0]=4 561 B15R2.886 CCNc1cc(=O)c2ccccc2o1 9d6de2595a4f4197334365fdff9bc104 [0,2,0,0,0,0|2,0,0]=4 562 B15R2.886 CCNc1cc(c2ccccc2n1)C f677f5ea64a3eadf04f22909685a6b96 [0,2,0,0,0,0|2,0,0]=4 563 B15R2.886 CCOc1cc(c2ccccc2c1)C 733a7884aed4a590b5a9c30392759849 [0,2,0,0,0,0|1,0,1]=4 564 B15R2.886 CCOc1cc(c2ccccc2n1)C 4e010a3cf4c9ac839ee4f11e7539d84c [0,2,0,0,0,0|1,0,1]=4 565 B15R2.886 Cc1cc(cc2c1cccc2)OCF 45d50e054ed77bf33940e452346a20a8 [0,2,0,0,0,0|1,0,1]=4 566 B15R2.886 Cc1cc(nc2c1cccc2)NCF 0635e0c33c025c988d0c7c17369c5e37 [0,2,0,0,0,0|2,0,0]=4 567 B15R2.886 Cc1cc(nc2c1cccc2)NCO fc5efc808e4f44042d987d9d95211506 [0,2,0,0,0,0|1,0,1]=4 568 B15R2.886 Cc1cc(nc2c1cccc2)OCF c9ec94fb6d9738bf102a853a07a9e78e [0,2,0,0,0,0|1,0,1]=4 569 B15R2.886 Cc1nc(cc2c1cccc2)NC=O f45f5f53526a2c8fd8d596d4944341b8 [0,2,0,0,0,0|2,0,0]=4 570 B15R2.886 O=CNc1cc(=O)c2ccccc2o1 930b59ff968341d65e03db3ff2732fba [0,2,0,0,0,0|1,0,0]=3 571 B15R2.886 O=CNc1cc(c2ccccc2c1)Br 29859a95e71efe593e658ee6fefaa6c7 [0,2,0,0,0,0|2,0,0]=4 572 B15R2.886 O=c1cc(oc2c1cccc2)NCF 3e6bf5a1b150985f114c440f0a215c33 [0,2,0,0,0,0|2,0,0]=4 573 B15R2.886 O=c1cc(oc2c1cccc2)NCO 24a11ed869f140f4d044678ae8beee10 [0,2,0,0,0,0|1,0,1]=4 574 B15R2.988 CC(=O)N1CC(=O)Oc2c1cccc2 b894f809dcc512ba95d5ba599bab78eb [0,2,0,0,0,0|1,0,1]=4 575 B15R2.988 CC(C)N1CC(=O)Oc2c1cccc2 58856fcfacf505e5e77acf63a9bc2d61 [0,2,0,0,0,0|1,0,1]=4 576 B15R2.4392 C#CCN1CC(=O)Oc2c1cccc2 a75fdb474b7d3b9e6b421c596cbc0102 [0,2,0,0,0,0|1,0,1]=4 577 B15R2.4392 C=CCN1CC(=O)Oc2c1cccc2 5e4cf5d48bb46fa34e8f9af6d77886d5 [0,2,0,0,0,0|1,0,1]=4 578 B15R2.4392 CCCN1CC(=O)Oc2c1cccc2 b533f91d269953e746e0eea55c2a3e31 [0,2,0,0,0,0|1,0,1]=4 579 B15R2.4392 CCNc1cc(=O)[nH]c2c1cccc2 306fa5c0ea347e46bcc646b4fe2df573 [0,2,0,0,0,0|1,0,0]=3 580 B15R2.4392 CCNc1cc(=O)oc2c1cccc2 afe18f276819c14bcdf99963000b8ed7 [0,2,0,0,0,0|0,0,0]=2 581 B15R2.4392 CCNc1cc(cc2c1cccc2)Br 02ef898059032b411b9f01a4e670797b [0,2,0,0,0,0|2,0,0]=4 582 B15R2.4392 CCNc1cc(cc2c1cccc2)Cl e265db41315f8e63b484c506613f2c55 [0,2,0,0,0,0|2,0,0]=4 583 B15R2.4392 CCNc1cc(cc2c1cccc2)I 066ef07f47b956a6e0e9063c6f4cdbce [0,2,0,0,0,0|2,0,0]=4 584 B15R2.4392 CCNc1cc(nc2c1cccc2)C 04173d8beda198805ee790123d168abf [0,2,0,0,0,0|2,0,0]=4 585 B15R2.4392 CCNc1cc(nc2c1cccc2)Cl 59864b11ddff1076743cea3f567663b1 [0,2,0,0,0,0|2,0,0]=4 586 B15R2.4392 CCOc1cc(=O)[nH]c2c1cccn2 f0773019bb000e62d5d940314104b2b9 [0,2,0,0,0,0|2,0,0]=4 587 B15R2.4392 CCOc1cc(=O)[nH]c2c1nccc2 f030c88a02983cd7b26908943bc41f1b [0,2,0,0,0,0|2,0,0]=4 588 B15R2.4392 CCOc1cc(=O)oc2c1cccc2 0347733bd2315b5d1d627d4cefc33f3a [0,2,0,0,0,0|0,0,0]=2 589 B15R2.4392 CCOc1cc(=O)sc2c1cccc2 11ff4702886e89ecdfdb69dc1445501f [0,2,0,0,0,0|0,1,0]=3 590 B15R2.4392 CCOc1cc(cc2c1cccc2)Br 838af6bef173a9b37b3dd622de3602ac [0,2,0,0,0,0|2,0,0]=4 591 B15R2.4392 CCOc1cc(nc2c1cccc2)Br d00eb83e5a6d93476411c08672c39e78 [0,2,0,0,0,0|2,0,0]=4 592 B15R2.4392 CCOc1cc(nc2c1cccc2)Cl 16c76263049d1f19e8829d1194ffc158 [0,2,0,0,0,0|2,0,0]=4 593 B15R2.4392 COCN1CC(=O)Oc2c1cccc2 ce4de877a655b15ed238723ab81e2304 [0,2,0,0,0,0|1,0,1]=4 594 B15R2.4392 CSCN1CC(=O)Oc2c1cccc2 52ac5ab46b436b6abffca1567e5f3766 [0,2,0,0,0,0|1,0,1]=4 595 B15R2.4392 Cc1cc(c2ccccc2n1)NCF 18d61bb8f8c49dc1d77c41b6e7f5fead [0,2,0,0,0,0|2,0,0]=4 596 B15R2.4392 FCNc1cc(cc2c1cccc2)Br 0a5d8227981edc7d510baa19f1a2f4d2 [0,2,0,0,0,0|2,0,0]=4 597 B15R2.4392 FCNc1cc(cc2c1cccc2)Cl 5667d9e98b38627c65d0d3b381c15221 [0,2,0,0,0,0|2,0,0]=4 598 B15R2.4392 FCNc1cc(cc2c1cccc2)I e9b944018c9ca6e4bbc42e3617bea05a [0,2,0,0,0,0|2,0,0]=4 599 B15R2.4392 FCNc1cc(nc2c1cccc2)Cl b0b25730fb24c63e6a7c38ce2a66d48d [0,2,0,0,0,0|2,0,0]=4 600 B15R2.4392 FCOc1cc(cc2c1cccc2)Br d0fa1d3189cc239c193007cd7d78a6a9 [0,2,0,0,0,0|2,0,0]=4 601 B15R2.4392 FCOc1cc(nc2c1cccc2)Cl 5d7ed7527a489ddf26bb2f18feb19d0e [0,2,0,0,0,0|2,0,0]=4 602 B15R2.4392 N#CCN1CC(=O)Oc2c1cccc2 8a7a195f015ee3b9223dde3cf6b4e2a0 [0,2,0,0,0,0|1,0,1]=4 603 B15R2.4392 O=C1CN(c2ccccc2O1)CCF 15d414aaa70587f5a2d383f28c883807 [0,2,0,0,0,0|1,0,1]=4 604 B15R2.4392 O=C1CN(c2ccccc2O1)CCO dadc15961d41fc210a3169c89124385b [0,2,0,0,0,0|1,0,1]=4 605 B15R2.4392 O=C1CN(c2ccccc2O1)CCS 6a3bfe04964bf2a56491b05e4e8478b0 [0,2,0,0,0,0|1,0,1]=4 606 B15R2.4392 O=CCN1CC(=O)Oc2c1cccc2 a42287ec47e89a48ad9e498becbb1422 [0,2,0,0,0,0|1,0,1]=4 607 B15R2.4392 O=CNc1cc(=O)oc2c1cccc2 2350f8847a959d03b4f28d03c9dea155 [0,2,0,0,0,0|0,0,1]=3 608 B15R2.4392 O=c1cc(c2ccccc2[nH]1)NCF 6f4645687eb5eeb3ce13ee4f45a758c3 [0,2,0,0,0,0|1,0,0]=3 609 B15R2.4392 O=c1cc(c2ccccc2[nH]1)NCO f010fbe09effa6d78f26421f2c93b752 [0,2,0,0,0,0|1,0,0]=3 610 B15R2.4392 O=c1cc(c2ccccc2o1)NCF 0b1d9d41ec755396b0ad1e03bd4b6b2c [0,2,0,0,0,0|0,0,0]=2 611 B15R2.4392 O=c1cc(c2ccccc2o1)NCO 0289d891844b91639ff42161c78be4da [0,2,0,0,0,0|0,0,0]=2 612 B15R2.4392 O=c1cc(c2ccccc2o1)OCF 007a1ba8b6cb575526bb0dcc92291a8b [0,2,0,0,0,0|0,0,0]=2 613 B15R2.4392 O=c1cc(c2ccccc2s1)OCF fae71c7b992bf52a019c5d641dd8b6bd [0,2,0,0,0,0|0,1,0]=3 614 B15R2.4392 O=c1cc(c2cccnc2[nH]1)OCF 3e484d14e11a841ea2c13d094cb149f2 [0,2,0,0,0,0|2,0,0]=4 615 B15R2.4392 O=c1cc(c2ncccc2[nH]1)OCF 79f344dd37ffbaf642ffc790ea06e272 [0,2,0,0,0,0|2,0,0]=4 616 B15R2.4392 OCNc1cc(cc2c1cccc2)Br ad60fc16130c569c470029ed0ce7b6cb [0,2,0,0,0,0|2,0,0]=4 617 B15R2.4392 OCNc1cc(cc2c1cccc2)Cl 70e0f3398250a6af8d9f7ff132b537de [0,2,0,0,0,0|2,0,0]=4 618 B15R2.4392 OCNc1cc(cc2c1cccc2)I 60c0a37fec0eb4958bf9d2c76f5f0b5e [0,2,0,0,0,0|2,0,0]=4 619 B15R2.4392 OCNc1cc(nc2c1cccc2)Cl d9529991eb7da155c2396c59c7717549 [0,2,0,0,0,0|2,0,0]=4 620 B13R2.10 Cc1cc(no1)c2ccccc2 f377d78335fce3bf0c94dfeb8bc1b6a5 [0,0,1,1,0,0|2,0,0]=4 621 B13R2.10 Oc1cc(sn1)c2ccccc2 1970fa891925ca66b9a27c49e68b2f37 [0,0,1,1,0,0|2,0,0]=4 622 B13R2.1 O=CNC1COc2c1cccc2 9146e6b67342d4bac1445fe83336b98e [0,0,1,1,0,0|1,0,1]=4 623 B13R2.1 O=CN[C@@H]1COc2c1cccc2 990013b76146d12551b5257045fb9b3b [0,0,1,1,0,0|1,0,1]=4 624 B13R2.1 O=CN[C@H]1COc2c1cccc2 e7231fd02955f371799c1b6d82ec65a6 [0,0,1,1,0,0|1,0,1]=4 625 B13R2.1 O=CNc1noc2c1cccc2 011515c155eaf6a6eb19c97b5cc579bc [0,0,1,1,0,0|2,0,0]=4 626 B13R2.18 Oc1ccccc1c2cc[nH]c2 b89088ddf65b0b2dd9d617859c8a63b3 [0,0,1,1,0,0|1,0,1]=4 627 B13R2.18 Oc1ccccc1c2cc[nH]n2 6adf38a8d1b6e1e6db1e65542feb9649 [0,0,1,1,0,0|2,0,0]=4 628 B13R2.18 Oc1ccccc1c2ccc[nH]2 eb21c19fb18b969937069884e5bb8cd7 [0,0,1,1,0,0|2,0,0]=4 629 B13R2.18 Oc1ccccc1c2ccco2 ce23a7bf75b2225a62cf3fa022536e37 [0,0,1,1,0,0|2,0,0]=4 630 B13R2.18 Oc1ccccc1c2cccs2 c4a3f21c1ec43abd25841b30a4b38c07 [0,0,1,1,0,0|2,0,0]=4 631 B13R2.18 Oc1ccccc1c2ccno2 08b477b00b13724c59cb02a2a18227c8 [0,0,1,1,0,0|2,0,0]=4 632 B13R2.18 Oc1ccccc1c2ccns2 648e95a7b6dd6f894525997f21c45290 [0,0,1,1,0,0|2,0,0]=4 633 B13R2.18 Oc1ccccc1c2ccoc2 c0b1ece463ed80455c1ea792f0485a96 [0,0,1,1,0,0|0,0,2]=4 634 B13R2.18 Oc1ccccc1c2ccon2 3e1ee054b6fdc7e53df7cae9337ffa7a [0,0,1,1,0,0|1,0,1]=4 635 B13R2.18 Oc1ccccc1c2ccsc2 189275d2d9c48886bb50afb94c2ac2d3 [0,0,1,1,0,0|0,1,1]=4 636 B11R1.30 C/C=C/C(=O)Nc1cccs1 b88ce0f8a91c462affd137607d6d36dc [0,0,1,0,1,0|2,0,0]=4 637 B11R1.30 C/C=C/C(=O)Nc1ccsc1 fdff0984574fbdd0c91821311a61c527 [0,0,1,0,1,0|2,0,0]=4 638 B13R1.42 C/C=C/C(=O)NCc1ccccc1 4d51e0361b05c8ca152e6c21845fe5c1 [0,0,1,0,0,1|1,0,0]=3 639 B13R1.42 C/C=C/C(=O)NCc1ccccn1 e724eba4c3e934e47ceb88037c7e571f [0,0,1,0,0,1|2,0,0]=4 640 B13R1.42 C/C=C/C(=O)NCc1cccnc1 a68a54efbf5bc2a0202fd3b15afaa1d2 [0,0,1,0,0,1|2,0,0]=4 641 B13R1.42 C/C=C/C(=O)NCc1ccncc1 8b52aa1ffe7248a55a1909f3e0b78c46 [0,0,1,0,0,1|2,0,0]=4 642 B13R1.42 C/C=C/C(C)OCc1ccccc1 c0df3343d05cb0346b99d6dc75eec6e2 [0,0,1,0,0,1|1,0,1]=4 643 B13R1.42 CC=CC(C)OCc1ccccc1 ea94e54106856a108ec09f1a3f6b9d4e [0,0,1,0,0,1|1,0,1]=4 644 B13R1.42 O=C(/C=C/Br)NCc1ccccc1 909f636bda2b5718346fef49b069fa8a [0,0,1,0,0,1|2,0,0]=4 645 B13R1.42 O=C(/C=C/Cl)NCc1ccccc1 5e36bfcc7fde9679dce08edddb71516f [0,0,1,0,0,1|2,0,0]=4 646 B13R1.42 O=C(/C=C/I)NCc1ccccc1 31efafb07a47713fe6ff90e7e1bf5d0f [0,0,1,0,0,1|2,0,0]=4 647 B13R1.42 O=C(/C=C\Br)NCc1ccccc1 1f8619ba1d0a3535a57ff58f3e1fcb42 [0,0,1,0,0,1|2,0,0]=4 648 B13R1.42 O=C(/C=C\Cl)NCc1ccccc1 6137fe6851111156e6dd160e39946b1f [0,0,1,0,0,1|2,0,0]=4 649 B13R1.42 O=C(/C=C\I)NCc1ccccc1 e36facb675c4a92df1ec40aeba4cbb4b [0,0,1,0,0,1|2,0,0]=4 650 B13R1.42 O=C(C=CBr)NCc1ccccc1 3a5dac911f5596ced97d69d8633ac895 [0,0,1,0,0,1|2,0,0]=4 651 B13R1.42 O=C(C=CI)NCc1ccccc1 15e86cae057ca09abb1b11b0cd0afbe1 [0,0,1,0,0,1|2,0,0]=4 652 B13R1.90 C=C(Br)COc1ccccc1C=O ac578a20b76d7a92e73f5e00c403ce0a [0,0,1,0,0,1|2,0,0]=4 653 B13R1.90 C=C(Br)COc1ccccc1CC 43715a68aa5cc9e6ba4c4ab41581c7f9 [0,0,1,0,0,1|1,0,1]=4 654 B13R1.90 C=C(Br)COc1ccccc1OC a75b1d811e1ae4963132367a124330aa [0,0,1,0,0,1|2,0,0]=4 655 B13R1.90 C=C(Br)COc1ccccc1SC 6022ee383103d031e398b442669b03f2 [0,0,1,0,0,1|2,0,0]=4 656 B13R1.90 C=C(C)COc1ccccc1C=O 8cb4206a26e711430fa64d9fc4f6eadf [0,0,1,0,0,1|2,0,0]=4 657 B13R1.90 C=C(C)COc1ccccc1CC 4adaeb9e33965da48b3df2dd71f232f8 [0,0,1,0,0,1|1,0,1]=4 658 B13R1.90 C=C(C)COc1ccccc1OC 25586cb692ed1054f2751e8cda333f55 [0,0,1,0,0,1|2,0,0]=4 659 B13R1.90 C=C(C)COc1ccccc1SC c0f587034dc9ac2022850b329ceee80f [0,0,1,0,0,1|2,0,0]=4 660 B13R1.90 C=C(Cl)COc1ccccc1C=O 1accbccee38e7bb5d7e857e41594f247 [0,0,1,0,0,1|2,0,0]=4 661 B13R1.90 C=C(Cl)COc1ccccc1CC c356cec8993e7129b8d9f96f7dd96067 [0,0,1,0,0,1|1,0,1]=4 662 B13R1.90 C=C(Cl)COc1ccccc1OC 9c52aa1092e5fef1108172fa05b8e26c [0,0,1,0,0,1|2,0,0]=4 663 B13R1.90 C=C(Cl)COc1ccccc1SC 0a719e1102c8ee9a6b7362a956a53655 [0,0,1,0,0,1|2,0,0]=4 664 B13R1.90 C=C(F)COc1ccccc1C=O 93935f7873440d74803512924208b41b [0,0,1,0,0,1|2,0,0]=4 665 B13R1.90 C=C(F)COc1ccccc1CC 6fb5ecd52d64ccd9487152955fa9fd4e [0,0,1,0,0,1|1,0,1]=4 666 B13R1.90 C=C(F)COc1ccccc1SC e5f4f92bac07cc32e28cf9ed7774bbbf [0,0,1,0,0,1|2,0,0]=4 667 B13R1.90 C=Cc1ccccc1OCC(=C)Br aaca59279702083daca36b75c8156c14 [0,0,1,0,0,1|1,0,1]=4 668 B13R1.90 C=Cc1ccccc1OCC(=C)C 1f926e29bcfa6e450f78875aa5706dc5 [0,0,1,0,0,1|1,0,1]=4 669 B13R1.90 C=Cc1ccccc1OCC(=C)Cl ebb156b5513514618329caba6f6d0289 [0,0,1,0,0,1|1,0,1]=4 670 B13R1.90 C=Cc1ccccc1OCC(=C)F aedb5d780a7afff4dd7746d5b767ac18 [0,0,1,0,0,1|1,0,1]=4 671 B13R1.90 C=Cc1ccccc1OCC(=O)N f96c13fcf17dbe6a87b9ffe8f56c2005 [0,0,1,0,0,1|1,0,1]=4 672 B13R1.90 C=Cc1ccccc1OCC(=O)O b7caae8227a498d0b56ba789011429d8 [0,0,1,0,0,1|1,0,1]=4 673 B13R1.90 CCc1ccccc1OCC(=O)N a5df7f3159911e82462c287fd8301125 [0,0,1,0,0,1|1,0,1]=4 674 B13R1.90 CCc1ccccc1OCC(=O)O c3f463829465b645be2f71b6a75954ea [0,0,1,0,0,1|1,0,1]=4 675 B13R1.90 COc1ccccc1OCC(=O)N dce3f2c4a8dc7c8923f98ade5eda5e2e [0,0,1,0,0,1|2,0,0]=4 676 B13R1.90 CSc1ccccc1OCC(=O)N 82a9f8373348e74aa1ecfe5d5fb04653 [0,0,1,0,0,1|2,0,0]=4 677 B13R1.90 CSc1ccccc1OCC(=O)O 6fc6a374f5ed326d3315046f574c9bcb [0,0,1,0,0,1|2,0,0]=4 678 B13R1.90 NC(=O)COc1ccccc1C=O 627a5f4cf133564ce616c5a9346cd004 [0,0,1,0,0,1|2,0,0]=4 679 B13R1.90 O=Cc1ccccc1OCC(=O)O 63ad72d2af03bffc841ecd7d9d48b6d0 [0,0,1,0,0,1|2,0,0]=4 680 B13R1.45 CC(NCC(=O)O)c1ccccc1 6cd1c18d6d7b686116c2e80c73f04289 [0,0,1,0,0,1|0,0,2]=4 681 B13R1.45 CC(OCC(=O)O)c1ccccc1 96b216adb540c329efb593b486d328ea [0,0,1,0,0,1|0,0,2]=4 682 B13R1.45 CN(CCC(=O)O)c1ccccc1 3ac5370b4a211dcf60c65690fe2ddc5c [0,0,1,0,0,1|1,0,1]=4 683 B13R1.45 C[C@@H](NCC(=O)O)c1ccccc1 c46367538eb8b3b151e91addfe62caaf [0,0,1,0,0,1|0,0,2]=4 684 B13R1.45 C[C@@H](OCC(=O)O)c1ccccc1 f0f3e4192d0bec80877cea198dfe883c [0,0,1,0,0,1|0,0,2]=4 685 B13R1.45 C[C@H](NCC(=O)O)c1ccccc1 d0e3b4bb7bb2fcc1bf9c831e52c7d7b4 [0,0,1,0,0,1|0,0,2]=4 686 B13R1.45 C[C@H](OCC(=O)O)c1ccccc1 55deadec1f7765518c50db81438d15eb [0,0,1,0,0,1|0,0,2]=4